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

Systemtic Name: 1-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-phenoxy-propan-2-ol; ethanedioic acid Openeye Name: 1-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-3-phenoxy-propan-2-ol; oxalic acid CAS Name: 1-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-3-phenoxy-2-propanol; oxalic acid IUPAC Name: 1-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-2-ol; oxalic acid Traditional Name: 1-[4-(benzothiophen-3-ylmethyl)piperazino]-3-phenoxy-propan-2-ol; oxalic acid Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC3=CC=CC=C32)CC(COC4=CC=CC=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CSC3=CC=CC=C32)CC(COC4=CC=CC=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H26N2O2S.C2H2O4/c25-19(16-26-20-6-2-1-3-7-20)15-24-12-10-23(11-13-24)14-18-17-27-22-9-5-4-8-21(18)22;3-1(4)2(5)6/h1-9,17,19,25H,10-16H2;(H,3,4)(H,5,6)