ethyl (3S)-1-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=C(C=CC(=C2)C)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=C(C=CC(=C2)C)OC

InChI

InChI=1S/C18H26N2O4/c1-4-24-18(22)14-6-5-9-20(11-14)12-17(21)19-15-10-13(2)7-8-16(15)23-3/h7-8,10,14H,4-6,9,11-12H2,1-3H3,(H,19,21)/p+1/t14-/m0/s1