methyl 1-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1R)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H30N3O4+ MolecularWeight: 340.4378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H29N3O4/c1-12(20-10-8-13(9-11-20)16(22)24-2)15(21)19-17(23)18-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H2,18,19,21,23)/p+1/t12-/m1/s1