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

Systemtic Name: 3-methyl-1-oxidanylidene-5-[(2S)-2-oxidanyl-3-[(4-propan-2-ylphenyl)amino]propyl]-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 5-[(2S)-2-hydroxy-3-(4-isopropylanilino)propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 5-[(2S)-2-hydroxy-3-(4-propan-2-ylanilino)propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 5-[(2S)-2-hydroxy-3-(4-propan-2-ylanilino)propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 5-[(2S)-3-cumidino-2-hydroxy-propyl]-1-keto-3-methyl-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C25H27N4O2+ MolecularWeight: 415.50748

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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)C(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C25H27N4O2/c1-16(2)18-8-10-19(11-9-18)27-14-20(30)15-28-22-6-4-5-7-23(22)29-24(31)12-17(3)21(13-26)25(28)29/h4-12,16,20,22,27,30H,14-15H2,1-3H3/q+1/t20-,22?/m0/s1