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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C18H26N2O3/c1-3-14-7-5-6-8-16(14)19-17(21)13-20-11-9-15(10-12-20)18(22)23-4-2/h5-8,15H,3-4,9-13H2,1-2H3,(H,19,21)/p+1