ethyl 1-[(R)-(2-benzamido-5-ethyl-thiophen-3-yl)-(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(R)-(2-benzamido-5-ethyl-thiophen-3-yl)-(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(R)-(2-benzamido-5-ethyl-3-thienyl)-(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(R)-(2-benzamido-5-ethyl-3-thiophenyl)-(4-chlorophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(R)-(2-benzamido-5-ethylthiophen-3-yl)-(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(R)-(2-benzamido-5-ethyl-3-thienyl)-(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C28H32ClN2O3S+ MolecularWeight: 512.08328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)Cl)[NH+]4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)[C@@H](C3=CC=C(C=C3)Cl)[NH+]4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C28H31ClN2O3S/c1-3-23-18-24(27(35-23)30-26(32)20-8-6-5-7-9-20)25(19-10-12-22(29)13-11-19)31-16-14-21(15-17-31)28(33)34-4-2/h5-13,18,21,25H,3-4,14-17H2,1-2H3,(H,30,32)/p+1/t25-/m1/s1