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

Systemtic Name: 3-methyl-1-oxidanylidene-5-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 5-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]-3-methyl-1-oxo-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 5-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propyl]-3-methyl-1-oxo-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 5-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 5-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]-1-keto-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(C[NH+]4CCCC4)O

Isomeric SMILES

CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)C[C@H](C[NH+]4CCCC4)O

InChI

InChI=1S/C20H22N4O2/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/h2-3,6-7,10,15,25H,4-5,8-9,12-13H2,1H3/p+1/t15-/m0/s1