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

Systemtic Name: ethyl (3S)-1-[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H32N3O4+ MolecularWeight: 366.47508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC(=O)NCCC2=CCCCC2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC(=O)NCCC2=CCCCC2

InChI

InChI=1S/C19H31N3O4/c1-2-26-18(24)16-9-6-12-22(13-16)14-17(23)21-19(25)20-11-10-15-7-4-3-5-8-15/h7,16H,2-6,8-14H2,1H3,(H2,20,21,23,25)/p+1/t16-/m0/s1