2-[3-[(2-Bromo-1-Propylpyridin-1-Ium-4-Carbonyl)-Phenylamino]Propanoylamino]Ethyl 3,4-Dihydro-1H-Isoquinoline-2-Carboxylate Nitrate
[CAS# 131311-25-6]

Identification

• Name: 2-[3-[(2-Bromo-1-Propylpyridin-1-Ium-4-Carbonyl)-Phenylamino]Propanoylamino]Ethyl 3,4-Dihydro-1H-Isoquinoline-2-Carboxylate Nitrate
• Synonyms: 2-[3-[(2-Bromo-1-Propyl-Pyridin-1-Ium-4-Carbonyl)-Phenyl-Amino]Propanoylamino]Ethyl 3,4-Dihydro-1H-Isoquinoline-2-Carboxylate Nitrate; 3,4-Dihydro-1H-Isoquinoline-2-Carboxylic Acid 2-[[3-[[(2-Bromo-1-Propyl-4-Pyridin-1-Iumyl)-Oxomethyl]-Phenylamino]-1-Oxopropyl]Amino]Ethyl Ester Nitrate; 3,4-Dihydro-1H-Isoquinoline-2-Carboxylic Acid 2-[3-[(2-Bromo-1-Propyl-Pyridin-1-Ium-4-Carbonyl)-Phenyl-Amino]Propanoylamino]Ethyl Ester Nitrate
• Molecular Formula: C₃₀H₃₄BrN₅O₇
• Molecular Weight: 656.53
• CAS Registry Number: 131311-25-6
• SMILES: C4=C(C(=O)N(C1=CC=CC=C1)CCC(=O)NCCOC(=O)N3CC2=CC=CC=C2CC3)C=C[N+](=C4Br)CCC.O=[N+]([O-])[O-]
• InChI: 1S/C30H33BrN4O4.NO3/c1-2-16-33-17-13-24(21-27(33)31)29(37)35(26-10-4-3-5-11-26)19-14-28(36)32-15-20-39-30(38)34-18-12-23-8-6-7-9-25(23)22-34;2-1(3)4/h3-11,13,17,21H,2,12,14-16,18-20,22H2,1H3;/q;-1/p+1
• InChIKey: XBPVPWDSUWHDIC-UHFFFAOYSA-O