3-methyl-2-(3-methylbutyl)-1-[(phenylmethyl)amino]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 3-methyl-2-(3-methylbutyl)-1-[(phenylmethyl)amino]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(benzylamino)-2-isopentyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-2-(3-methylbutyl)-1-[(phenylmethyl)amino]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(benzylamino)-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(benzylamino)-2-isoamyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C25H27N4+ MolecularWeight: 383.50868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)NCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)NCC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H26N4/c1-17(2)13-14-20-18(3)21(15-26)25-28-22-11-7-8-12-23(22)29(25)24(20)27-16-19-9-5-4-6-10-19/h4-12,17H,13-14,16H2,1-3H3,(H,27,28)/p+1