4-azaniumyl-1-phenylmethoxycarbonyl-piperidine-4-carboxylate

Systemtic Name: 4-azaniumyl-1-phenylmethoxycarbonyl-piperidine-4-carboxylate Openeye Name: 4-azaniumyl-1-benzyloxycarbonyl-piperidine-4-carboxylate CAS Name: 4-ammonio-1-phenylmethoxycarbonyl-4-piperidinecarboxylate IUPAC Name: 4-azaniumyl-1-phenylmethoxycarbonylpiperidine-4-carboxylate Traditional Name: 4-ammonio-1-carbobenzoxy-isonipecotate Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)[O-])[NH3+])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1(C(=O)[O-])[NH3+])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O4/c15-14(12(17)18)6-8-16(9-7-14)13(19)20-10-11-4-2-1-3-5-11/h1-5H,6-10,15H2,(H,17,18)