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

Systemtic Name: ethyl (3S)-1-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H32N3O4+ MolecularWeight: 354.46438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3O4/c1-3-25-17(23)14-8-7-11-21(12-14)13(2)16(22)20-18(24)19-15-9-5-4-6-10-15/h13-15H,3-12H2,1-2H3,(H2,19,20,22,24)/p+1/t13-,14-/m0/s1