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

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-propan-2-yl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-isopropyl-1-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-propan-2-yl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-isopropyl-1-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H30N5+ MolecularWeight: 424.5606

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5/c1-19(2)22-16-26(32-25-7-5-4-6-24(25)29-27(32)23(22)17-28)31-14-12-30(13-15-31)18-21-10-8-20(3)9-11-21/h4-11,16,19H,12-15,18H2,1-3H3/p+1