methyl 4-methyl-3-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-2-carboxylate

Systemtic Name: methyl 4-methyl-3-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-2-carboxylate Openeye Name: methyl 4-methyl-3-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2-carboxylate CAS Name: 4-methyl-3-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2-carboxylate Traditional Name: 4-methyl-3-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C14H21N2O3S+ MolecularWeight: 297.39314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1NC(=O)C[NH+]2CCCCC2)C(=O)OC

Isomeric SMILES

CC1=CSC(=C1NC(=O)C[NH+]2CCCCC2)C(=O)OC

InChI

InChI=1S/C14H20N2O3S/c1-10-9-20-13(14(18)19-2)12(10)15-11(17)8-16-6-4-3-5-7-16/h9H,3-8H2,1-2H3,(H,15,17)/p+1