[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-pyridin-1-ium-1-ylethanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-pyridin-1-ium-1-ylethanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-pyridin-1-ium-1-ylacetate CAS Name: 2-(1-pyridin-1-iumyl)acetic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-pyridin-1-ium-1-ylacetate Traditional Name: 2-pyridin-1-ium-1-ylacetic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C23H30NO2+ MolecularWeight: 352.4898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C[N+]2=CC=CC=C2)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[N+]2=CC=CC=C2)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C23H30NO2/c1-18-12-13-20(23(2,3)19-10-6-4-7-11-19)21(16-18)26-22(25)17-24-14-8-5-9-15-24/h4-11,14-15,18,20-21H,12-13,16-17H2,1-3H3/q+1/t18-,20-,21-/m1/s1