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

Systemtic Name: 3-methyl-1-(phenethylamino)-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-benzyl-3-methyl-1-(phenethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-1-(phenethylamino)-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-benzyl-3-methyl-1-(phenethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-benzyl-3-methyl-1-(phenethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C28H25N4+ MolecularWeight: 417.5249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CC4=CC=CC=C4)NCCC5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CC4=CC=CC=C4)NCCC5=CC=CC=C5)C#N

InChI

InChI=1S/C28H24N4/c1-20-23(18-22-12-6-3-7-13-22)27(30-17-16-21-10-4-2-5-11-21)32-26-15-9-8-14-25(26)31-28(32)24(20)19-29/h2-15H,16-18H2,1H3,(H,30,31)/p+1