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

Systemtic Name: 1-[(4-chlorophenyl)amino]-2-(2-cyanoethyl)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(4-chloroanilino)-2-(2-cyanoethyl)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(4-chloroanilino)-2-(2-cyanoethyl)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(4-chloroanilino)-2-(2-cyanoethyl)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(4-chloroanilino)-2-(2-cyanoethyl)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C22H17ClN5+ MolecularWeight: 386.85688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC#N)NC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC#N)NC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C22H16ClN5/c1-14-17(5-4-12-24)21(26-16-10-8-15(23)9-11-16)28-20-7-3-2-6-19(20)27-22(28)18(14)13-25/h2-3,6-11H,4-5H2,1H3,(H,26,27)/p+1