methyl 4-ethyl-5-methyl-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C15H23N2O3S+ MolecularWeight: 311.41972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCCC2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCCC2)C

InChI

InChI=1S/C15H22N2O3S/c1-4-11-10(2)21-14(13(11)15(19)20-3)16-12(18)9-17-7-5-6-8-17/h4-9H2,1-3H3,(H,16,18)/p+1