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

Systemtic Name: 5-[(2R)-3-[(4-butylphenyl)amino]-2-oxidanyl-propyl]-3-methyl-1-oxidanylidene-2H-pyrido[1,2-a]benzimidazol-5-ium-4-carbonitrile Openeye Name: 5-[(2R)-3-(4-butylanilino)-2-hydroxy-propyl]-3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazol-5-ium-4-carbonitrile CAS Name: 5-[(2R)-3-(4-butylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazol-5-ium-4-carbonitrile IUPAC Name: 5-[(2R)-3-(4-butylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazol-5-ium-4-carbonitrile Traditional Name: 5-[(2R)-3-(4-butylanilino)-2-hydroxy-propyl]-1-keto-3-methyl-2H-pyrido[1,2-a]benzimidazol-5-ium-4-carbonitrile Formula: C26H29N4O2+ MolecularWeight: 429.53406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NCC(C[N+]2=C3C(=C(CC(=O)N3C4=CC=CC=C42)C)C#N)O

Isomeric SMILES

CCCCC1=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/C26H29N4O2/c1-3-4-7-19-10-12-20(13-11-19)28-16-21(31)17-29-23-8-5-6-9-24(23)30-25(32)14-18(2)22(15-27)26(29)30/h5-6,8-13,21,28,31H,3-4,7,14,16-17H2,1-2H3/q+1/t21-/m1/s1