3-methyl-1-oxidanylidene-5-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl]-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 3-methyl-1-oxidanylidene-5-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl]-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 5-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 5-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 5-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 5-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]-1-keto-3-methyl-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C20H24N4O2+2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+]2=C3C=CC=CC3N(C2=C1C#N)CC(C[NH+]4CCCC4)O

Isomeric SMILES

CC1=CC(=O)[N+]2=C3C=CC=CC3N(C2=C1C#N)C[C@H](C[NH+]4CCCC4)O

InChI

InChI=1S/C20H23N4O2/c1-14-10-19(26)24-18-7-3-2-6-17(18)23(20(24)16(14)11-21)13-15(25)12-22-8-4-5-9-22/h2-3,6-7,10,15,17,25H,4-5,8-9,12-13H2,1H3/q+1/p+1/t15-,17?/m0/s1