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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-methyl-2-[(3-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]ethanoate chloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[3-methyl-2-[(3-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]acetate chloride CAS Name: 2-[3-methyl-2-[(3-methylphenoxy)methyl]-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-[(3-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]acetate chloride Traditional Name: 2-[3-methyl-2-[(3-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester chloride Formula: C28H37ClN2O3 MolecularWeight: 485.05798

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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)C.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C28H37N2O3.ClH/c1-19(2)23-14-13-21(4)16-26(23)33-28(31)17-30-25-12-7-6-11-24(25)29(5)27(30)18-32-22-10-8-9-20(3)15-22;/h6-12,15,19,21,23,26H,13-14,16-18H2,1-5H3;1H/q+1;/p-1