ethyl (3R)-1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[2-(3,5-dimethylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-(3,5-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=CC(=CC(=C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-4-23-18(22)15-6-5-7-20(11-15)12-17(21)19-16-9-13(2)8-14(3)10-16/h8-10,15H,4-7,11-12H2,1-3H3,(H,19,21)/p+1/t15-/m1/s1