ethyl 3-methyl-5-[2-(4-oxidanylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(4-oxidanylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(4-hydroxypiperidin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(4-hydroxy-1-piperidin-1-iumyl)-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-hydroxypiperidin-1-ium-1-yl)acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(4-hydroxypiperidin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C15H23N2O4S+ MolecularWeight: 327.41912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C[NH+]2CCC(CC2)O)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C[NH+]2CCC(CC2)O)C

InChI

InChI=1S/C15H22N2O4S/c1-3-21-15(20)14-10(2)8-13(22-14)16-12(19)9-17-6-4-11(18)5-7-17/h8,11,18H,3-7,9H2,1-2H3,(H,16,19)/p+1