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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-(phenoxymethyl)benzimidazol-3-ium-1-yl]ethanoate chloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[3-methyl-2-(phenoxymethyl)benzimidazol-3-ium-1-yl]acetate chloride CAS Name: 2-[3-methyl-2-(phenoxymethyl)-1-benzimidazol-3-iumyl]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester chloride IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[3-methyl-2-(phenoxymethyl)benzimidazol-3-ium-1-yl]acetate chloride Traditional Name: 2-[3-methyl-2-(phenoxymethyl)benzimidazol-3-ium-1-yl]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester chloride Formula: C27H35ClN2O3 MolecularWeight: 471.0314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2COC4=CC=CC=C4)C)C(C)C.[Cl-]

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2COC4=CC=CC=C4)C)C(C)C.[Cl-]

InChI

InChI=1S/C27H35N2O3.ClH/c1-19(2)22-15-14-20(3)16-25(22)32-27(30)17-29-24-13-9-8-12-23(24)28(4)26(29)18-31-21-10-6-5-7-11-21;/h5-13,19-20,22,25H,14-18H2,1-4H3;1H/q+1;/p-1