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

Systemtic Name: ethyl (3R)-1-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[2-(2-ethoxyanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-keto-2-(o-phenetidino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCC[C@H](C2)C(=O)OCC

InChI

InChI=1S/C18H26N2O4/c1-3-23-16-10-6-5-9-15(16)19-17(21)13-20-11-7-8-14(12-20)18(22)24-4-2/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3,(H,19,21)/p+1/t14-/m1/s1