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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(propylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(propylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(propylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(propylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-(4-chlorobenzyl)-3-methyl-1-(propylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C23H22ClN4+ MolecularWeight: 389.90058

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4/c1-3-12-26-22-18(13-16-8-10-17(24)11-9-16)15(2)19(14-25)23-27-20-6-4-5-7-21(20)28(22)23/h4-11H,3,12-13H2,1-2H3,(H,26,27)/p+1