methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1R)-1-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H31N2O3+ MolecularWeight: 311.43964

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H30N2O3/c1-12-6-4-5-7-15(12)18-16(20)13(2)19-10-8-14(9-11-19)17(21)22-3/h12-15H,4-11H2,1-3H3,(H,18,20)/p+1/t12-,13+,15-/m0/s1