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

Systemtic Name: 2-butyl-3-methyl-1-(phenethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-butyl-3-methyl-1-(phenethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 2-butyl-3-methyl-1-(phenethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-butyl-3-methyl-1-(phenethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-butyl-3-methyl-1-(phenethylamino)-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:

CCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCCC4=CC=CC=C4

InChI

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