ethyl 1-[2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[3-carbethoxy-4-(2,4-dimethylphenyl)-2-thienyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H33N2O5S+ MolecularWeight: 473.60492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=C(C=C(C=C3)C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=C(C=C(C=C3)C)C)C(=O)OCC

InChI

InChI=1S/C25H32N2O5S/c1-5-31-24(29)18-9-11-27(12-10-18)14-21(28)26-23-22(25(30)32-6-2)20(15-33-23)19-8-7-16(3)13-17(19)4/h7-8,13,15,18H,5-6,9-12,14H2,1-4H3,(H,26,28)/p+1