ethyl 1-[[3-(thiophen-2-ylcarbonylamino)phenyl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[3-(thiophen-2-ylcarbonylamino)phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(thiophene-2-carbonylamino)phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(thiophene-2-carbonylamino)phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(2-thenoylamino)benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N2O3S/c1-2-25-20(24)16-8-10-22(11-9-16)14-15-5-3-6-17(13-15)21-19(23)18-7-4-12-26-18/h3-7,12-13,16H,2,8-11,14H2,1H3,(H,21,23)/p+1