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

Systemtic Name: ethyl (3S)-1-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(2,6-dimethylanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C18H26N2O3/c1-4-23-18(22)15-9-6-10-20(11-15)12-16(21)19-17-13(2)7-5-8-14(17)3/h5,7-8,15H,4,6,9-12H2,1-3H3,(H,19,21)/p+1/t15-/m0/s1