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

Systemtic Name: 3-methyl-5-[(2R)-3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propyl]-1-oxidanylidene-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 5-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-methyl-1-oxo-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 5-[(2R)-2-hydroxy-3-(4-methyl-1-piperidin-1-iumyl)propyl]-3-methyl-1-oxo-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 5-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 5-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-1-keto-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(CN2C3=CC=CC=C3N4C2=C(C(=CC4=O)C)C#N)O

Isomeric SMILES

CC1CC[NH+](CC1)C[C@@H](CN2C3=CC=CC=C3N4C2=C(C(=CC4=O)C)C#N)O

InChI

InChI=1S/C22H26N4O2/c1-15-7-9-24(10-8-15)13-17(27)14-25-19-5-3-4-6-20(19)26-21(28)11-16(2)18(12-23)22(25)26/h3-6,11,15,17,27H,7-10,13-14H2,1-2H3/p+1/t17-/m0/s1