ethyl (3S)-1-[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+]2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH+]2CCC[C@@H](C2)C(=O)OCC

InChI

InChI=1S/C19H27N3O4/c1-3-20-19(25)21-17(23)16(14-9-6-5-7-10-14)22-12-8-11-15(13-22)18(24)26-4-2/h5-7,9-10,15-16H,3-4,8,11-13H2,1-2H3,(H2,20,21,23,25)/p+1/t15-,16-/m0/s1