methyl 3-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-2-carboxylate

Systemtic Name: methyl 3-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-2-carboxylate Openeye Name: methyl 3-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C13H19N2O3S+ MolecularWeight: 283.36656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C[NH+]2CCCCC2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C13H18N2O3S/c1-18-13(17)12-10(5-8-19-12)14-11(16)9-15-6-3-2-4-7-15/h5,8H,2-4,6-7,9H2,1H3,(H,14,16)/p+1