5-chloranyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-(phenylmethyl)benzimidazole

Systemtic Name: 5-chloranyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-5-chloro-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzimidazole CAS Name: 5-chloro-2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-5-chloro-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzimidazole Traditional Name: 1-benzyl-5-chloro-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzimidazole Formula: C26H28ClN4O+ MolecularWeight: 447.97972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

InChI

InChI=1S/C26H27ClN4O/c1-32-23-10-8-22(9-11-23)30-15-13-29(14-16-30)19-26-28-24-17-21(27)7-12-25(24)31(26)18-20-5-3-2-4-6-20/h2-12,17H,13-16,18-19H2,1H3/p+1