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

Systemtic Name: 4-azanyl-1-(phenylmethyl)piperidine-4-carboxylate; cyclohexane; ethanedioate Openeye Name: 4-amino-1-benzyl-piperidine-4-carboxylate; cyclohexane; oxalate CAS Name: 4-amino-1-(phenylmethyl)-4-piperidinecarboxylate; cyclohexane; oxalate IUPAC Name: 4-amino-1-benzylpiperidine-4-carboxylate; cyclohexane; oxalate Traditional Name: 4-amino-1-benzyl-isonipecotate; cyclohexane; oxalate Formula: C21H28N2O6-3 MolecularWeight: 404.45682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[CH]CC1.C1CN(CCC1(C(=O)[O-])N)CC2=CC=CC=C2.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1CC[CH]CC1.C1CN(CCC1(C(=O)[O-])N)CC2=CC=CC=C2.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C13H18N2O2.C6H11.C2H2O4/c14-13(12(16)17)6-8-15(9-7-13)10-11-4-2-1-3-5-11;1-2-4-6-5-3-1;3-1(4)2(5)6/h1-5H,6-10,14H2,(H,16,17);1H,2-6H2;(H,3,4)(H,5,6)/p-3