methyl (3R,5S)-5-methyl-4-oxidanylidene-piperidin-1-ium-3-carboxylate

Systemtic Name: methyl (3R,5S)-5-methyl-4-oxidanylidene-piperidin-1-ium-3-carboxylate Openeye Name: methyl (3R,5S)-5-methyl-4-oxo-piperidin-1-ium-3-carboxylate CAS Name: (3R,5S)-5-methyl-4-oxo-3-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (3R,5S)-5-methyl-4-oxopiperidin-1-ium-3-carboxylate Traditional Name: (3R,5S)-4-keto-5-methyl-piperidin-1-ium-3-carboxylic acid methyl ester Formula: C8H14NO3+ MolecularWeight: 172.20166

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]CC(C1=O)C(=O)OC

Isomeric SMILES

C[C@H]1C[NH2+]C[C@H](C1=O)C(=O)OC

InChI

InChI=1S/C8H13NO3/c1-5-3-9-4-6(7(5)10)8(11)12-2/h5-6,9H,3-4H2,1-2H3/p+1/t5-,6+/m0/s1