1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one; butanedioate

Systemtic Name: 1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one; butanedioate Openeye Name: 1-[[5-[[4-(benzofuran-7-yl)piperazin-1-yl]methyl]-2-thienyl]methyl]piperidin-2-one; butanedioate CAS Name: 1-[[5-[[4-(7-benzofuranyl)-1-piperazinyl]methyl]-2-thiophenyl]methyl]-2-piperidinone; butanedioate IUPAC Name: 1-[[5-[[4-(1-benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one; butanedioate Traditional Name: 1-[[5-[[4-(benzofuran-7-yl)piperazino]methyl]-2-thienyl]methyl]-2-piperidone; succinate Formula: C27H31N3O6S-2 MolecularWeight: 525.61654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)CC2=CC=C(S2)CN3CCN(CC3)C4=CC=CC5=C4OC=C5.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CCN(C(=O)C1)CC2=CC=C(S2)CN3CCN(CC3)C4=CC=CC5=C4OC=C5.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C23H27N3O2S.C4H6O4/c27-22-6-1-2-10-26(22)17-20-8-7-19(29-20)16-24-11-13-25(14-12-24)21-5-3-4-18-9-15-28-23(18)21;5-3(6)1-2-4(7)8/h3-5,7-9,15H,1-2,6,10-14,16-17H2;1-2H2,(H,5,6)(H,7,8)/p-2