2-[4-[[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]azaniumyl]cyclohexyl]ethanoate

Systemtic Name: 2-[4-[[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]azaniumyl]cyclohexyl]ethanoate Openeye Name: 2-[4-[[(1R)-2-(2,6-dimethylphenoxy)-1-methyl-ethyl]ammonio]cyclohexyl]acetate CAS Name: 2-[4-[[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]ammonio]cyclohexyl]acetate IUPAC Name: 2-[4-[[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]azaniumyl]cyclohexyl]acetate Traditional Name: 2-[4-[[(1R)-2-(2,6-dimethylphenoxy)-1-methyl-ethyl]ammonio]cyclohexyl]acetate Formula: C19H29NO3 MolecularWeight: 319.43846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(C)[NH2+]C2CCC(CC2)CC(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC[C@@H](C)[NH2+]C2CCC(CC2)CC(=O)[O-]

InChI

InChI=1S/C19H29NO3/c1-13-5-4-6-14(2)19(13)23-12-15(3)20-17-9-7-16(8-10-17)11-18(21)22/h4-6,15-17,20H,7-12H2,1-3H3,(H,21,22)/t15-,16?,17?/m1/s1