N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(phenylmethyl)piperidin-4-amine; ethanedioic acid

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(phenylmethyl)piperidin-4-amine; ethanedioic acid Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-piperidin-4-amine; oxalic acid CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(phenylmethyl)-4-piperidinamine; oxalic acid IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzylpiperidin-4-amine; oxalic acid Traditional Name: (1-benzyl-4-piperidyl)-homopiperonyl-amine; oxalic acid Formula: C23H28N2O6 MolecularWeight: 428.47822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1NCCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O2.C2H2O4/c1-2-4-18(5-3-1)15-23-12-9-19(10-13-23)22-11-8-17-6-7-20-21(14-17)25-16-24-20;3-1(4)2(5)6/h1-7,14,19,22H,8-13,15-16H2;(H,3,4)(H,5,6)