1-(phenylmethyl)-3-[5-(4-phenylpiperazin-1-yl)pentyl]benzimidazol-1-ium-2-amine chloride

Systemtic Name: 1-(phenylmethyl)-3-[5-(4-phenylpiperazin-1-yl)pentyl]benzimidazol-1-ium-2-amine chloride Openeye Name: 1-benzyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]benzimidazol-1-ium-2-amine chloride CAS Name: 1-(phenylmethyl)-3-[5-(4-phenyl-1-piperazinyl)pentyl]-2-benzimidazol-1-iumamine chloride IUPAC Name: 1-benzyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]benzimidazol-1-ium-2-amine chloride Traditional Name: [1-benzyl-3-[5-(4-phenylpiperazino)pentyl]benzimidazol-1-ium-2-yl]amine chloride Formula: C29H36ClN5 MolecularWeight: 490.08264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1CN(CCN1CCCCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C29H35N5.ClH/c30-29-33(27-16-8-9-17-28(27)34(29)24-25-12-4-1-5-13-25)19-11-3-10-18-31-20-22-32(23-21-31)26-14-6-2-7-15-26;/h1-2,4-9,12-17,30H,3,10-11,18-24H2;1H