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

Systemtic Name: 5-[(2R)-3-[(4-ethoxyphenyl)amino]-2-oxidanyl-propyl]-3-methyl-1-oxidanylidene-2H-pyrido[1,2-a]benzimidazol-5-ium-4-carbonitrile Openeye Name: 5-[(2R)-3-(4-ethoxyanilino)-2-hydroxy-propyl]-3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazol-5-ium-4-carbonitrile CAS Name: 5-[(2R)-3-(4-ethoxyanilino)-2-hydroxypropyl]-3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazol-5-ium-4-carbonitrile IUPAC Name: 5-[(2R)-3-(4-ethoxyanilino)-2-hydroxypropyl]-3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazol-5-ium-4-carbonitrile Traditional Name: 5-[(2R)-2-hydroxy-3-(p-phenetidino)propyl]-1-keto-3-methyl-2H-pyrido[1,2-a]benzimidazol-5-ium-4-carbonitrile Formula: C24H25N4O3+ MolecularWeight: 417.4803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NCC(C[N+]2=C3C(=C(CC(=O)N3C4=CC=CC=C42)C)C#N)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC[C@H](C[N+]2=C3C(=C(CC(=O)N3C4=CC=CC=C42)C)C#N)O

InChI

InChI=1S/C24H25N4O3/c1-3-31-19-10-8-17(9-11-19)26-14-18(29)15-27-21-6-4-5-7-22(21)28-23(30)12-16(2)20(13-25)24(27)28/h4-11,18,26,29H,3,12,14-15H2,1-2H3/q+1/t18-/m1/s1