5-[(2S)-3-[(4-methoxyphenyl)amino]-2-oxidanyl-propyl]-3-methyl-1-oxidanylidene-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 5-[(2S)-3-[(4-methoxyphenyl)amino]-2-oxidanyl-propyl]-3-methyl-1-oxidanylidene-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 5-[(2S)-2-hydroxy-3-(4-methoxyanilino)propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 5-[(2S)-2-hydroxy-3-(4-methoxyanilino)propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 5-[(2S)-2-hydroxy-3-(4-methoxyanilino)propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 5-[(2S)-2-hydroxy-3-(p-anisidino)propyl]-1-keto-3-methyl-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C23H23N4O3+ MolecularWeight: 403.45372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+]2=C3C=CC=CC3N(C2=C1C#N)CC(CNC4=CC=C(C=C4)OC)O

Isomeric SMILES

CC1=CC(=O)[N+]2=C3C=CC=CC3N(C2=C1C#N)C[C@H](CNC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C23H23N4O3/c1-15-11-22(29)27-21-6-4-3-5-20(21)26(23(27)19(15)12-24)14-17(28)13-25-16-7-9-18(30-2)10-8-16/h3-11,17,20,25,28H,13-14H2,1-2H3/q+1/t17-,20?/m0/s1