1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-(phenoxymethyl)benzimidazole

Systemtic Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-(phenoxymethyl)benzimidazole Openeye Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-(phenoxymethyl)benzimidazole CAS Name: 1-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-2-(phenoxymethyl)benzimidazole IUPAC Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-(phenoxymethyl)benzimidazole Traditional Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-(phenoxymethyl)benzimidazole Formula: C25H26ClN4O+ MolecularWeight: 433.95314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H25ClN4O/c26-20-7-6-8-21(17-20)29-15-13-28(14-16-29)19-30-24-12-5-4-11-23(24)27-25(30)18-31-22-9-2-1-3-10-22/h1-12,17H,13-16,18-19H2/p+1