1-[(4-butylphenyl)amino]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-[(4-butylphenyl)amino]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(4-butylanilino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(4-butylanilino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(4-butylanilino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(4-butylanilino)-3-propyl-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:

CCCCC1=CC=C(C=C1)NC2=[N+]3C4=CC=CC=C4NC3=C(C(=C2)CCC)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=[N+]3C4=CC=CC=C4NC3=C(C(=C2)CCC)C#N

InChI

InChI=1S/C25H26N4/c1-3-5-9-18-12-14-20(15-13-18)27-24-16-19(8-4-2)21(17-26)25-28-22-10-6-7-11-23(22)29(24)25/h6-7,10-16H,3-5,8-9H2,1-2H3,(H,27,28)/p+1