ethyl 4-[(2-chlorophenyl)methyl]-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(5-acetyl-3-thienyl)methyl]-4-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-acetyl-3-thiophenyl)methyl]-4-[(2-chlorophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-acetylthiophen-3-yl)methyl]-4-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-acetyl-3-thienyl)methyl]-4-(2-chlorobenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H27ClNO3S+ MolecularWeight: 420.97268

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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=C3Cl

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CSC(=C2)C(=O)C)CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H26ClNO3S/c1-3-27-21(26)22(13-18-6-4-5-7-19(18)23)8-10-24(11-9-22)14-17-12-20(16(2)25)28-15-17/h4-7,12,15H,3,8-11,13-14H2,1-2H3/p+1