ethyl (3S)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-2-(4-methoxyphenyl)-1-methyl-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-(4-methoxyphenyl)-1-methyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)[C@@H](C)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H27NO3/c1-4-22-18(20)16-6-5-11-19(13-16)14(2)12-15-7-9-17(21-3)10-8-15/h7-10,14,16H,4-6,11-13H2,1-3H3/p+1/t14-,16-/m0/s1