ethyl 1-[[2-(furan-2-ylcarbonylamino)-4,5-dimethyl-thiophen-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[2-(furan-2-ylcarbonylamino)-4,5-dimethyl-thiophen-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[2-(furan-2-carbonylamino)-4,5-dimethyl-3-thienyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-[[2-furanyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(furan-2-carbonylamino)-4,5-dimethylthiophen-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(2-furoylamino)-4,5-dimethyl-3-thienyl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H27N2O4S+ MolecularWeight: 391.50438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(SC(=C2C)C)NC(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(SC(=C2C)C)NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H26N2O4S/c1-4-25-20(24)15-7-9-22(10-8-15)12-16-13(2)14(3)27-19(16)21-18(23)17-6-5-11-26-17/h5-6,11,15H,4,7-10,12H2,1-3H3,(H,21,23)/p+1