(5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)ethanoate chloride

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)ethanoate chloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)acetate chloride CAS Name: 2-(2-ethyl-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-ethyl-3-methylbenzimidazol-3-ium-1-yl)acetate chloride Traditional Name: 2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester chloride Formula: C22H33ClN2O2 MolecularWeight: 392.96262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C2=CC=CC=C2N1CC(=O)OC3CC(CCC3C(C)C)C)C.[Cl-]

Isomeric SMILES

CCC1=[N+](C2=CC=CC=C2N1CC(=O)OC3CC(CCC3C(C)C)C)C.[Cl-]

InChI

InChI=1S/C22H33N2O2.ClH/c1-6-21-23(5)18-9-7-8-10-19(18)24(21)14-22(25)26-20-13-16(4)11-12-17(20)15(2)3;/h7-10,15-17,20H,6,11-14H2,1-5H3;1H/q+1;/p-1