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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCCC2)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCCC2)C(=O)OCC

InChI

InChI=1S/C15H22N2O3S/c1-3-11-9-12(15(19)20-4-2)14(21-11)16-13(18)10-17-7-5-6-8-17/h9H,3-8,10H2,1-2H3,(H,16,18)/p+1