1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2-thienylmethoxy)propan-2-ol; oxalic acid CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-3-(thiophen-2-ylmethoxy)-2-propanol; oxalic acid IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol; oxalic acid Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-3-(2-thenyloxy)propan-2-ol; oxalic acid Formula: C20H25ClN2O6S MolecularWeight: 456.9403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCC2=CC=CS2)O)C3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC(COCC2=CC=CS2)O)C3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23ClN2O2S.C2H2O4/c19-15-3-1-4-16(11-15)21-8-6-20(7-9-21)12-17(22)13-23-14-18-5-2-10-24-18;3-1(4)2(5)6/h1-5,10-11,17,22H,6-9,12-14H2;(H,3,4)(H,5,6)