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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2COC4=CC=CC=C4OC)C)C(C)C.[Cl-]

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2COC4=CC=CC=C4OC)C)C(C)C.[Cl-]

InChI

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