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

Systemtic Name: 1-(butylamino)-3-methyl-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-benzyl-1-(butylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(butylamino)-3-methyl-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-benzyl-1-(butylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-benzyl-1-(butylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C24H25N4+ MolecularWeight: 369.4821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CC4=CC=CC=C4

Isomeric SMILES

CCCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CC4=CC=CC=C4

InChI

InChI=1S/C24H24N4/c1-3-4-14-26-23-19(15-18-10-6-5-7-11-18)17(2)20(16-25)24-27-21-12-8-9-13-22(21)28(23)24/h5-13H,3-4,14-15H2,1-2H3,(H,26,27)/p+1