3-methyl-5-[(2R)-3-[(4-methylphenyl)amino]-2-oxidanyl-propyl]-1-oxidanylidene-2H-pyrido[1,2-a]benzimidazol-5-ium-4-carbonitrile

Systemtic Name: 3-methyl-5-[(2R)-3-[(4-methylphenyl)amino]-2-oxidanyl-propyl]-1-oxidanylidene-2H-pyrido[1,2-a]benzimidazol-5-ium-4-carbonitrile Openeye Name: 5-[(2R)-2-hydroxy-3-(4-methylanilino)propyl]-3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazol-5-ium-4-carbonitrile CAS Name: 5-[(2R)-2-hydroxy-3-(4-methylanilino)propyl]-3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazol-5-ium-4-carbonitrile IUPAC Name: 5-[(2R)-2-hydroxy-3-(4-methylanilino)propyl]-3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazol-5-ium-4-carbonitrile Traditional Name: 5-[(2R)-2-hydroxy-3-(p-toluidino)propyl]-1-keto-3-methyl-2H-pyrido[1,2-a]benzimidazol-5-ium-4-carbonitrile Formula: C23H23N4O2+ MolecularWeight: 387.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2C(=O)C1)CC(CNC4=CC=C(C=C4)C)O)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2C(=O)C1)C[C@@H](CNC4=CC=C(C=C4)C)O)C#N

InChI

InChI=1S/C23H23N4O2/c1-15-7-9-17(10-8-15)25-13-18(28)14-26-20-5-3-4-6-21(20)27-22(29)11-16(2)19(12-24)23(26)27/h3-10,18,25,28H,11,13-14H2,1-2H3/q+1/t18-/m1/s1