(3R)-3-azaniumyl-1-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: (3R)-3-azaniumyl-1-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: (3R)-3-azaniumyl-1-benzyl-piperidin-1-ium-3-carboxylate CAS Name: (3R)-3-ammonio-1-(phenylmethyl)-3-piperidin-1-iumcarboxylate IUPAC Name: (3R)-3-azaniumyl-1-benzylpiperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-ammonio-1-benzyl-piperidin-1-ium-3-carboxylate Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2)(C(=O)[O-])[NH3+]

Isomeric SMILES

C1C[C@@](C[NH+](C1)CC2=CC=CC=C2)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H18N2O2/c14-13(12(16)17)7-4-8-15(10-13)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2,(H,16,17)/p+1/t13-/m1/s1