1-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-morpholin-4-yl-propan-2-ol; ethanedioic acid

Systemtic Name: 1-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-morpholin-4-yl-propan-2-ol; ethanedioic acid Openeye Name: 1-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-3-morpholino-propan-2-ol; oxalic acid CAS Name: 1-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-3-(4-morpholinyl)-2-propanol; oxalic acid IUPAC Name: 1-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol; oxalic acid Traditional Name: 1-[4-(benzothiophen-3-ylmethyl)piperazino]-3-morpholino-propan-2-ol; oxalic acid Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC3=CC=CC=C32)CC(CN4CCOCC4)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CSC3=CC=CC=C32)CC(CN4CCOCC4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29N3O2S.C2H2O4/c24-18(15-23-9-11-25-12-10-23)14-22-7-5-21(6-8-22)13-17-16-26-20-4-2-1-3-19(17)20;3-1(4)2(5)6/h1-4,16,18,24H,5-15H2;(H,3,4)(H,5,6)