3-methyl-1-oxidanylidene-5-[(2R)-2-oxidanyl-3-(4-phenylpiperazin-1-yl)propyl]-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 3-methyl-1-oxidanylidene-5-[(2R)-2-oxidanyl-3-(4-phenylpiperazin-1-yl)propyl]-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 5-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 5-[(2R)-2-hydroxy-3-(4-phenyl-1-piperazinyl)propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 5-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 5-[(2R)-2-hydroxy-3-(4-phenylpiperazino)propyl]-1-keto-3-methyl-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C26H28N5O2+ MolecularWeight: 442.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+]2=C3C=CC=CC3N(C2=C1C#N)CC(CN4CCN(CC4)C5=CC=CC=C5)O

Isomeric SMILES

CC1=CC(=O)[N+]2=C3C=CC=CC3N(C2=C1C#N)C[C@@H](CN4CCN(CC4)C5=CC=CC=C5)O

InChI

InChI=1S/C26H28N5O2/c1-19-15-25(33)31-24-10-6-5-9-23(24)30(26(31)22(19)16-27)18-21(32)17-28-11-13-29(14-12-28)20-7-3-2-4-8-20/h2-10,15,21,23,32H,11-14,17-18H2,1H3/q+1/t21-,23?/m1/s1