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

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-propan-2-yl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-isopropyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-propan-2-yl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-3-isopropyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C26H27ClN5+ MolecularWeight: 444.97908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CC5=CC=C(C=C5)Cl)C#N

Isomeric SMILES

CC(C)C1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CC5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C26H26ClN5/c1-18(2)21-15-25(32-24-6-4-3-5-23(24)29-26(32)22(21)16-28)31-13-11-30(12-14-31)17-19-7-9-20(27)10-8-19/h3-10,15,18H,11-14,17H2,1-2H3/p+1