ethyl (3S)-1-[(5-ethanoylthiophen-3-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(5-ethanoylthiophen-3-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(5-acetyl-3-thienyl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(5-acetyl-3-thiophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(5-acetylthiophen-3-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(5-acetyl-3-thienyl)methyl]-3-m-anisyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H30NO4S+ MolecularWeight: 416.5536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4S/c1-4-28-22(26)23(13-18-7-5-8-20(11-18)27-3)9-6-10-24(16-23)14-19-12-21(17(2)25)29-15-19/h5,7-8,11-12,15H,4,6,9-10,13-14,16H2,1-3H3/p+1/t23-/m0/s1