ethyl (3R)-1-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[2-(4-ethylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-(4-ethylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-(4-ethylanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H27N2O3+ MolecularWeight: 319.41858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CCC[C@H](C2)C(=O)OCC

InChI

InChI=1S/C18H26N2O3/c1-3-14-7-9-16(10-8-14)19-17(21)13-20-11-5-6-15(12-20)18(22)23-4-2/h7-10,15H,3-6,11-13H2,1-2H3,(H,19,21)/p+1/t15-/m1/s1