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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(4-methoxyphenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]ethanoate chloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[2-[(4-methoxyphenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]acetate chloride CAS Name: 2-[2-[(4-methoxyphenoxy)methyl]-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-methoxyphenoxy)methyl]-3-methylbenzimidazol-3-ium-1-yl]acetate chloride Traditional Name: 2-[2-[(4-methoxyphenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester chloride Formula: C28H37ClN2O4 MolecularWeight: 501.05738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N2O4.ClH/c1-19(2)23-15-10-20(3)16-26(23)34-28(31)17-30-25-9-7-6-8-24(25)29(4)27(30)18-33-22-13-11-21(32-5)12-14-22;/h6-9,11-14,19-20,23,26H,10,15-18H2,1-5H3;1H/q+1;/p-1