1-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C26H28N5+ MolecularWeight: 410.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C3=CC(=C(C4=NC5=CC=CC=C5N34)C#N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C3=CC(=C(C4=NC5=CC=CC=C5N34)C#N)C)C

InChI

InChI=1S/C26H27N5/c1-18-8-9-21(19(2)14-18)17-29-10-12-30(13-11-29)25-15-20(3)22(16-27)26-28-23-6-4-5-7-24(23)31(25)26/h4-9,14-15H,10-13,17H2,1-3H3/p+1