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

Systemtic Name: 2-butyl-1-[(4-ethoxyphenyl)amino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-butyl-1-(4-ethoxyanilino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 2-butyl-1-(4-ethoxyanilino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-butyl-1-(4-ethoxyanilino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-butyl-3-methyl-1-(p-phenetidino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C25H27N4O+ MolecularWeight: 399.50808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NC4=CC=C(C=C4)OCC

Isomeric SMILES

CCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NC4=CC=C(C=C4)OCC

InChI

InChI=1S/C25H26N4O/c1-4-6-9-20-17(3)21(16-26)25-28-22-10-7-8-11-23(22)29(25)24(20)27-18-12-14-19(15-13-18)30-5-2/h7-8,10-15H,4-6,9H2,1-3H3,(H,27,28)/p+1