1-(phenylmethyl)-3-[8-(4-phenylpiperazin-1-yl)octyl]benzimidazol-1-ium-2-amine chloride

Systemtic Name: 1-(phenylmethyl)-3-[8-(4-phenylpiperazin-1-yl)octyl]benzimidazol-1-ium-2-amine chloride Openeye Name: 1-benzyl-3-[8-(4-phenylpiperazin-1-yl)octyl]benzimidazol-1-ium-2-amine chloride CAS Name: 1-(phenylmethyl)-3-[8-(4-phenyl-1-piperazinyl)octyl]-2-benzimidazol-1-iumamine chloride IUPAC Name: 1-benzyl-3-[8-(4-phenylpiperazin-1-yl)octyl]benzimidazol-1-ium-2-amine chloride Traditional Name: [1-benzyl-3-[8-(4-phenylpiperazino)octyl]benzimidazol-1-ium-2-yl]amine chloride Formula: C32H42ClN5 MolecularWeight: 532.16238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCCCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1CN(CCN1CCCCCCCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C32H41N5.ClH/c33-32-36(30-19-11-12-20-31(30)37(32)27-28-15-7-5-8-16-28)22-14-4-2-1-3-13-21-34-23-25-35(26-24-34)29-17-9-6-10-18-29;/h5-12,15-20,33H,1-4,13-14,21-27H2;1H