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

Systemtic Name: ethyl (3S)-1-[(3-ethanoylphenyl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(3-acetylphenyl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(3-acetylphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3-acetylphenyl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(3-acetylbenzyl)-3-m-anisyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C25H32NO4+ MolecularWeight: 410.52588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC=CC(=C2)C(=O)C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC=CC(=C2)C(=O)C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C25H31NO4/c1-4-30-24(28)25(16-20-8-6-11-23(15-20)29-3)12-7-13-26(18-25)17-21-9-5-10-22(14-21)19(2)27/h5-6,8-11,14-15H,4,7,12-13,16-18H2,1-3H3/p+1/t25-/m0/s1