[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)ethanoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)ethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)acetate CAS Name: 2-(2-ethyl-3-methyl-1-benzimidazol-3-iumyl)acetic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-3-methylbenzimidazol-3-ium-1-yl)acetate Traditional Name: 2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)acetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H33N2O2+ MolecularWeight: 357.50962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=[N+](C2=CC=CC=C2N1CC(=O)O[C@H]3C[C@H](CC[C@@H]3C(C)C)C)C

InChI

InChI=1S/C22H33N2O2/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/q+1/t16-,17+,20-/m0/s1