[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone; ethanedioic acid

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone; ethanedioic acid Openeye Name: [1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone; oxalic acid CAS Name: [1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-[4-(2-fluorophenyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: [4-(2-fluorophenyl)piperazino]-(1-piperonyl-4-piperidyl)methanone; oxalic acid Formula: C26H30FN3O7 MolecularWeight: 515.530703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3F)CC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3F)CC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H28FN3O3.C2H2O4/c25-20-3-1-2-4-21(20)27-11-13-28(14-12-27)24(29)19-7-9-26(10-8-19)16-18-5-6-22-23(15-18)31-17-30-22;3-1(4)2(5)6/h1-6,15,19H,7-14,16-17H2;(H,3,4)(H,5,6)