methyl 1-[2-[(3-ethoxycarbonyl-4-methyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(3-ethoxycarbonyl-4-methyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(3-ethoxycarbonyl-4-methyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(3-ethoxycarbonyl-4-methyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(3-ethoxycarbonyl-4-methyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(3-carbethoxy-4-methyl-5-phenyl-2-thienyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H29N2O5S+ MolecularWeight: 445.55176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C23H28N2O5S/c1-4-30-23(28)19-15(2)20(16-8-6-5-7-9-16)31-21(19)24-18(26)14-25-12-10-17(11-13-25)22(27)29-3/h5-9,17H,4,10-14H2,1-3H3,(H,24,26)/p+1