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

Systemtic Name: 4-azanyl-1-(phenylmethyl)piperidine-4-carboxylate; decane; ethanedioate Openeye Name: 4-amino-1-benzyl-piperidine-4-carboxylate; decane; oxalate CAS Name: 4-amino-1-(phenylmethyl)-4-piperidinecarboxylate; decane; oxalate IUPAC Name: 4-amino-1-benzylpiperidine-4-carboxylate; decane; oxalate Traditional Name: 4-amino-1-benzyl-isonipecotate; decane; oxalate Formula: C25H38N2O6-3 MolecularWeight: 462.57902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2.C10H21.C2H2O4/c14-13(12(16)17)6-8-15(9-7-13)10-11-4-2-1-3-5-11;1-3-5-7-9-10-8-6-4-2;3-1(4)2(5)6/h1-5H,6-10,14H2,(H,16,17);1,3-10H2,2H3;(H,3,4)(H,5,6)/p-3