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

Systemtic Name: ethyl 1-[(2-benzamido-5-ethyl-thiophen-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-benzamido-5-ethyl-3-thienyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-benzamido-5-ethyl-3-thiophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-benzamido-5-ethylthiophen-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-benzamido-5-ethyl-3-thienyl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C[NH+]3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C[NH+]3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C22H28N2O3S/c1-3-19-14-18(15-24-12-10-17(11-13-24)22(26)27-4-2)21(28-19)23-20(25)16-8-6-5-7-9-16/h5-9,14,17H,3-4,10-13,15H2,1-2H3,(H,23,25)/p+1