Molecule ID: 10251290

IUPAC Name: 1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine;(Z)-but-2-enedioic acid

Description: The molecule is a maleate salt obtained by reaction of 1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine with one equivalent of maleic acid. A potent dopamine re-uptake inhibitor with a behavioral profile different from that of PCP and similar to that of cocaine. It has a role as a dopamine uptake inhibitor. It contains a 1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidinium(1+).

SMILES: O=C(O)/C=C\C(=O)O.c1ccc2sc(C3(N4CCCCC4)CCCCC3)cc2c1

SELFIES: [O][=C][Branch1][C][O][/C][=C][\C][=Branch1][C][=O][O].[C][=C][C][=C][S][C][Branch2][Ring1][Ring1][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][Ring1][N][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1]

InChI: InChI=1S/C19H25NS.C4H4O4/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18;5-3(6)1-2-4(7)8/h3-4,9-10,15H,1-2,5-8,11-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: nan