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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCC4=CC=CC=C4

Isomeric SMILES

CCCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCC4=CC=CC=C4

InChI

InChI=1S/C25H26N4/c1-3-4-6-13-20-18(2)21(16-26)25-28-22-14-9-10-15-23(22)29(25)24(20)27-17-19-11-7-5-8-12-19/h5,7-12,14-15H,3-4,6,13,17H2,1-2H3,(H,27,28)/p+1