methyl (3R)-4-oxidanylidene-1-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: methyl (3R)-4-oxidanylidene-1-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: methyl (3R)-1-benzyl-4-oxo-piperidin-1-ium-3-carboxylate CAS Name: (3R)-4-oxo-1-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-benzyl-4-keto-piperidin-1-ium-3-carboxylic acid methyl ester Formula: C14H18NO3+ MolecularWeight: 248.29762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH+](CCC1=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1C[NH+](CCC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H17NO3/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3/p+1/t12-/m1/s1