Lycobetaine acetate
[CAS# 61221-41-8]

Identification

• Name: Lycobetaine acetate
• Synonyms: 4,5-Dihydro-2-Hydroxy-(1,3)Dioxolo(4,5-J)Pyrrolo(3,2,1-De)Phenanthridinium Acetate; At-1840; Lycobetaine Acetate
• Molecular Formula: C₁₈H₁₅NO₅
• Molecular Weight: 325.32
• CAS Registry Number: 61221-41-8
• SMILES: C1=[N+]5C4=C(C3=C1C=C2OCOC2=C3)C=C(O)C=C4CC5.CC([O-])=O
• InChI: 1S/C16H11NO3.C2H4O2/c18-11-3-9-1-2-17-7-10-4-14-15(20-8-19-14)6-12(10)13(5-11)16(9)17;1-2(3)4/h3-7H,1-2,8H2;1H3,(H,3,4)
• InChIKey: HKIJKEFVQKXWGW-UHFFFAOYSA-N