ethyl 1-[(5-ethanoylthiophen-3-yl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(5-ethanoylthiophen-3-yl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(5-acetyl-3-thienyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-acetyl-3-thiophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-acetylthiophen-3-yl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-acetyl-3-thienyl)methyl]-4-m-anisyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H30NO4S+ MolecularWeight: 416.5536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CSC(=C2)C(=O)C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CSC(=C2)C(=O)C)CC3=CC(=CC=C3)OC

InChI

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