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

Systemtic Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-phenyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-3-phenyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C29H25ClN5+ MolecularWeight: 478.9953

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC(=C(C4=NC5=CC=CC=C5N34)C#N)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC(=C(C4=NC5=CC=CC=C5N34)C#N)C6=CC=CC=C6

InChI

InChI=1S/C29H24ClN5/c30-25-11-5-4-10-22(25)20-33-14-16-34(17-15-33)28-18-23(21-8-2-1-3-9-21)24(19-31)29-32-26-12-6-7-13-27(26)35(28)29/h1-13,18H,14-17,20H2/p+1