[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(4-methoxypyridin-1-ium-1-yl)ethanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(4-methoxypyridin-1-ium-1-yl)ethanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-(4-methoxypyridin-1-ium-1-yl)acetate CAS Name: 2-(4-methoxy-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-(4-methoxypyridin-1-ium-1-yl)acetate Traditional Name: 2-(4-methoxypyridin-1-ium-1-yl)acetic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C24H32NO3+ MolecularWeight: 382.51578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32NO3/c1-18-10-11-21(24(2,3)19-8-6-5-7-9-19)22(16-18)28-23(26)17-25-14-12-20(27-4)13-15-25/h5-9,12-15,18,21-22H,10-11,16-17H2,1-4H3/q+1/t18-,21-,22-/m1/s1