(5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-(4-bromophenyl)-3-methyl-benzimidazol-3-ium-1-yl]ethanoate chloride

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-(4-bromophenyl)-3-methyl-benzimidazol-3-ium-1-yl]ethanoate chloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[2-(4-bromophenyl)-3-methyl-benzimidazol-3-ium-1-yl]acetate chloride CAS Name: 2-[2-(4-bromophenyl)-3-methyl-1-benzimidazol-3-iumyl]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester chloride IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[2-(4-bromophenyl)-3-methylbenzimidazol-3-ium-1-yl]acetate chloride Traditional Name: 2-[2-(4-bromophenyl)-3-methyl-benzimidazol-3-ium-1-yl]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester chloride Formula: C26H32BrClN2O2 MolecularWeight: 519.90148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2C4=CC=C(C=C4)Br)C)C(C)C.[Cl-]

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2C4=CC=C(C=C4)Br)C)C(C)C.[Cl-]

InChI

InChI=1S/C26H32BrN2O2.ClH/c1-17(2)21-14-9-18(3)15-24(21)31-25(30)16-29-23-8-6-5-7-22(23)28(4)26(29)19-10-12-20(27)13-11-19;/h5-8,10-13,17-18,21,24H,9,14-16H2,1-4H3;1H/q+1;/p-1