1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxynaphthalen-1-yl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxynaphthalen-1-yl)methyl]piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-1-naphthyl)methyl]piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-1-naphthalenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxynaphthalen-1-yl)methyl]piperazine; oxalic acid Traditional Name: 1-[(4-methoxy-1-naphthyl)methyl]-4-piperonyl-piperazine; oxalic acid Formula: C26H28N2O7 MolecularWeight: 480.50972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H26N2O3.C2H2O4/c1-27-22-9-7-19(20-4-2-3-5-21(20)22)16-26-12-10-25(11-13-26)15-18-6-8-23-24(14-18)29-17-28-23;3-1(4)2(5)6/h2-9,14H,10-13,15-17H2,1H3;(H,3,4)(H,5,6)