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

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(3-methylbenzimidazol-3-ium-1-yl)ethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(3-methylbenzimidazol-3-ium-1-yl)acetate CAS Name: 2-(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-(3-methylbenzimidazol-3-ium-1-yl)acetate Traditional Name: 2-(3-methylbenzimidazol-3-ium-1-yl)acetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H29N2O2+ MolecularWeight: 329.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CN2C=[N+](C3=CC=CC=C32)C)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CN2C=[N+](C3=CC=CC=C32)C)C(C)C

InChI

InChI=1S/C20H29N2O2/c1-14(2)16-10-9-15(3)11-19(16)24-20(23)12-22-13-21(4)17-7-5-6-8-18(17)22/h5-8,13-16,19H,9-12H2,1-4H3/q+1/t15-,16+,19-/m0/s1