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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-pyridin-1-ium-1-ylethanoate chloride Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-pyridin-1-ium-1-ylacetate chloride CAS Name: 2-(1-pyridin-1-iumyl)acetic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester chloride IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-pyridin-1-ium-1-ylacetate chloride Traditional Name: 2-pyridin-1-ium-1-ylacetic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester chloride Formula: C23H30ClNO2 MolecularWeight: 387.9428

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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.[Cl-]

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.[Cl-]

InChI

InChI=1S/C23H30NO2.ClH/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;1H/q+1;/p-1/t18-,20-,21-;/m1./s1