(19alpha)-3,4,5,6,16,17-Hexadehydro-16-(Methoxycarbonyl)-19-Methyloxayohimbanium Chloride
[CAS# 55322-91-3]

Identification

• Name: (19alpha)-3,4,5,6,16,17-Hexadehydro-16-(Methoxycarbonyl)-19-Methyloxayohimbanium Chloride
• Molecular Formula: C₂₁H₂₁ClN₂O₃
• Molecular Weight: 384.86
• CAS Registry Number: 55322-91-3
• EINECS: 259-590-5
• SMILES: [C@@H]15C(=CO[C@H]([C@H]1C[N+]2=C(C4=C(C=C2)C3=CC=CC=C3[NH]4)C5)C)C(=O)OC.[Cl-]
• InChI: 1S/C21H20N2O3.ClH/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;/h3-8,11-12,15-16H,9-10H2,1-2H3;1H/t12-,15-,16+;/m0./s1
• InChIKey: HKPNHORYVYLABA-RXAPEJBRSA-N