1-[12-(4-methylpiperazin-1-yl)dodecyl]-3-(phenylmethyl)benzimidazol-3-ium-2-amine chloride

Systemtic Name: 1-[12-(4-methylpiperazin-1-yl)dodecyl]-3-(phenylmethyl)benzimidazol-3-ium-2-amine chloride Openeye Name: 1-benzyl-3-[12-(4-methylpiperazin-1-yl)dodecyl]benzimidazol-1-ium-2-amine chloride CAS Name: 1-[12-(4-methyl-1-piperazinyl)dodecyl]-3-(phenylmethyl)-2-benzimidazol-3-iumamine chloride IUPAC Name: 1-benzyl-3-[12-(4-methylpiperazin-1-yl)dodecyl]benzimidazol-1-ium-2-amine chloride Traditional Name: [1-benzyl-3-[12-(4-methylpiperazino)dodecyl]benzimidazol-1-ium-2-yl]amine chloride Formula: C31H48ClN5 MolecularWeight: 526.19932

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCCCCCCCCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CN1CCN(CC1)CCCCCCCCCCCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C31H47N5.ClH/c1-33-23-25-34(26-24-33)21-15-8-6-4-2-3-5-7-9-16-22-35-29-19-13-14-20-30(29)36(31(35)32)27-28-17-11-10-12-18-28;/h10-14,17-20,32H,2-9,15-16,21-27H2,1H3;1H