ethyl (3R)-1-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[2-(2,6-diethylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-(2,6-diethylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-(2,6-diethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-(2,6-diethylanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3/c1-4-15-9-7-10-16(5-2)19(15)21-18(23)14-22-12-8-11-17(13-22)20(24)25-6-3/h7,9-10,17H,4-6,8,11-14H2,1-3H3,(H,21,23)/p+1/t17-/m1/s1