ethyl (3S)-1-ethyl-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)(CC2=CC(=CC=C2)OC)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3/c1-4-19-11-7-10-18(14-19,17(20)22-5-2)13-15-8-6-9-16(12-15)21-3/h6,8-9,12H,4-5,7,10-11,13-14H2,1-3H3/p+1/t18-/m0/s1