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

Systemtic Name: ethyl (3S)-1-[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(cyclohexylcarbamoylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(cyclohexylcarbamoylamino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H30N3O4+ MolecularWeight: 340.4378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC(=O)NC2CCCCC2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C17H29N3O4/c1-2-24-16(22)13-7-6-10-20(11-13)12-15(21)19-17(23)18-14-8-4-3-5-9-14/h13-14H,2-12H2,1H3,(H2,18,19,21,23)/p+1/t13-/m0/s1