4-azaniumyl-1-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: 4-azaniumyl-1-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: 4-azaniumyl-1-benzyl-piperidin-1-ium-4-carboxylate CAS Name: 4-ammonio-1-(phenylmethyl)-4-piperidin-1-iumcarboxylate IUPAC Name: 4-azaniumyl-1-benzylpiperidin-1-ium-4-carboxylate Traditional Name: 4-ammonio-1-benzyl-piperidin-1-ium-4-carboxylate Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C(=O)[O-])[NH3+])CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1(C(=O)[O-])[NH3+])CC2=CC=CC=C2

InChI

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