4-azanyl-1-(phenylmethyl)piperidine-4-carboxylate; butane; ethanedioate

Systemtic Name: 4-azanyl-1-(phenylmethyl)piperidine-4-carboxylate; butane; ethanedioate Openeye Name: 4-amino-1-benzyl-piperidine-4-carboxylate; butane; oxalate CAS Name: 4-amino-1-(phenylmethyl)-4-piperidinecarboxylate; butane; oxalate IUPAC Name: 4-amino-1-benzylpiperidine-4-carboxylate; butane; oxalate Traditional Name: 4-amino-1-benzyl-isonipecotate; butane; oxalate Formula: C19H26N2O6-3 MolecularWeight: 378.41954

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2].C1CN(CCC1(C(=O)[O-])N)CC2=CC=CC=C2.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCC[CH2].C1CN(CCC1(C(=O)[O-])N)CC2=CC=CC=C2.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C13H18N2O2.C4H9.C2H2O4/c14-13(12(16)17)6-8-15(9-7-13)10-11-4-2-1-3-5-11;1-3-4-2;3-1(4)2(5)6/h1-5H,6-10,14H2,(H,16,17);1,3-4H2,2H3;(H,3,4)(H,5,6)/p-3