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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(4-chloranylphenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]ethanoate chloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[2-[(4-chlorophenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]acetate chloride CAS Name: 2-[2-[(4-chlorophenoxy)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-chlorophenoxy)methyl]-3-methylbenzimidazol-3-ium-1-yl]acetate chloride Traditional Name: 2-[2-[(4-chlorophenoxy)methyl]-3-methyl-benzimidazol-3-ium-1-yl]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester chloride Formula: C27H34Cl2N2O3 MolecularWeight: 505.47646

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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)Cl)C)C(C)C.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C27H34ClN2O3.ClH/c1-18(2)22-14-9-19(3)15-25(22)33-27(31)16-30-24-8-6-5-7-23(24)29(4)26(30)17-32-21-12-10-20(28)11-13-21;/h5-8,10-13,18-19,22,25H,9,14-17H2,1-4H3;1H/q+1;/p-1