1-[3-(1-benzothiophen-3-yl)propyl]-4-(3-methoxypyridin-2-yl)piperazine; (E)-but-2-enedioic acid

Systemtic Name: 1-[3-(1-benzothiophen-3-yl)propyl]-4-(3-methoxypyridin-2-yl)piperazine; (E)-but-2-enedioic acid Openeye Name: 1-[3-(benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridyl)piperazine; fumaric acid CAS Name: 1-[3-(1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine; (E)-2-butenedioic acid IUPAC Name: 1-[3-(1-benzothiophen-3-yl)propyl]-4-(3-methoxypyridin-2-yl)piperazine; (E)-but-2-enedioic acid Traditional Name: 1-[3-(benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridyl)piperazine; fumaric acid Formula: C25H29N3O5S MolecularWeight: 483.57986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CC=C1)N2CCN(CC2)CCCC3=CSC4=CC=CC=C43.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(N=CC=C1)N2CCN(CC2)CCCC3=CSC4=CC=CC=C43.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H25N3OS.C4H4O4/c1-25-19-8-4-10-22-21(19)24-14-12-23(13-15-24)11-5-6-17-16-26-20-9-3-2-7-18(17)20;5-3(6)1-2-4(7)8/h2-4,7-10,16H,5-6,11-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+