3-oxidanylidene-1-(phenylmethyl)piperidin-1-ium-1-carboxylate hydrochloride

Systemtic Name: 3-oxidanylidene-1-(phenylmethyl)piperidin-1-ium-1-carboxylate hydrochloride Openeye Name: 1-benzyl-3-oxo-piperidin-1-ium-1-carboxylate hydrochloride CAS Name: 3-oxo-1-(phenylmethyl)-1-piperidin-1-iumcarboxylate hydrochloride IUPAC Name: 1-benzyl-3-oxopiperidin-1-ium-1-carboxylate hydrochloride Traditional Name: 1-benzyl-3-keto-piperidin-1-ium-1-carboxylate hydrochloride Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C[N+](C1)(CC2=CC=CC=C2)C(=O)[O-].Cl

Isomeric SMILES

C1CC(=O)C[N+](C1)(CC2=CC=CC=C2)C(=O)[O-].Cl

InChI

InChI=1S/C13H15NO3.ClH/c15-12-7-4-8-14(10-12,13(16)17)9-11-5-2-1-3-6-11;/h1-3,5-6H,4,7-10H2;1H