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

Systemtic Name: 3-methyl-1-oxidanylidene-5-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 5-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-3-methyl-1-oxo-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 5-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-3-methyl-1-oxo-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 5-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 5-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-1-keto-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(C[NH+]4CCCCC4)O

Isomeric SMILES

CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)C[C@H](C[NH+]4CCCCC4)O

InChI

InChI=1S/C21H24N4O2/c1-15-11-20(27)25-19-8-4-3-7-18(19)24(21(25)17(15)12-22)14-16(26)13-23-9-5-2-6-10-23/h3-4,7-8,11,16,26H,2,5-6,9-10,13-14H2,1H3/p+1/t16-/m0/s1