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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH+]2CCCC2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH+]2CCCC2

InChI

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