2-[2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]benzimidazol-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]benzimidazol-1-yl]-1-phenyl-ethanone Openeye Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]benzimidazol-1-yl]-1-phenyl-ethanone CAS Name: 2-[2-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-benzimidazolyl]-1-phenylethanone IUPAC Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]benzimidazol-1-yl]-1-phenylethanone Traditional Name: 2-[2-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]benzimidazol-1-yl]-1-phenyl-ethanone Formula: C26H26ClN4O+ MolecularWeight: 445.96384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4N3CC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4N3CC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H25ClN4O/c27-22-12-10-20(11-13-22)18-29-14-16-30(17-15-29)26-28-23-8-4-5-9-24(23)31(26)19-25(32)21-6-2-1-3-7-21/h1-13H,14-19H2/p+1