ethyl (3S)-1-[2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[4-(dimethylcarbamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[4-[dimethylamino(oxo)methyl]anilino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[4-(dimethylcarbamoyl)anilino]-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)NC2=CC=C(C=C2)C(=O)N(C)C

Isomeric SMILES

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

InChI

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