ethanedioic acid; 1-[(3-fluorophenyl)methyl]-4-(3-methylcyclohexyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(3-fluorophenyl)methyl]-4-(3-methylcyclohexyl)piperazine Openeye Name: 1-[(3-fluorophenyl)methyl]-4-(3-methylcyclohexyl)piperazine; oxalic acid CAS Name: 1-[(3-fluorophenyl)methyl]-4-(3-methylcyclohexyl)piperazine; oxalic acid IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-(3-methylcyclohexyl)piperazine; oxalic acid Traditional Name: 1-(3-fluorobenzyl)-4-(3-methylcyclohexyl)piperazine; oxalic acid Formula: C20H29FN2O4 MolecularWeight: 380.453663

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2CCN(CC2)CC3=CC(=CC=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1)N2CCN(CC2)CC3=CC(=CC=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27FN2.C2H2O4/c1-15-4-2-7-18(12-15)21-10-8-20(9-11-21)14-16-5-3-6-17(19)13-16;3-1(4)2(5)6/h3,5-6,13,15,18H,2,4,7-12,14H2,1H3;(H,3,4)(H,5,6)