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

Systemtic Name: 3-methyl-2-(phenylmethyl)-1-(pyridin-3-ylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-benzyl-3-methyl-1-(3-pyridylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-2-(phenylmethyl)-1-(3-pyridinylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-benzyl-3-methyl-1-(pyridin-3-ylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-benzyl-3-methyl-1-(3-pyridylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C26H22N5+ MolecularWeight: 404.48638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CC4=CC=CC=C4)NCC5=CN=CC=C5)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CC4=CC=CC=C4)NCC5=CN=CC=C5)C#N

InChI

InChI=1S/C26H21N5/c1-18-21(14-19-8-3-2-4-9-19)25(29-17-20-10-7-13-28-16-20)31-24-12-6-5-11-23(24)30-26(31)22(18)15-27/h2-13,16H,14,17H2,1H3,(H,29,30)/p+1