ethyl (3S)-1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/c1-4-26-18(24)15-6-5-9-22(11-15)12-17(23)21-19(25)20-16-8-7-13(2)10-14(16)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H2,20,21,23,25)/p+1/t15-/m0/s1