ethanedioic acid; 1-phenothiazin-10-yl-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol

Systemtic Name: ethanedioic acid; 1-phenothiazin-10-yl-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-phenothiazin-10-yl-propan-2-ol; oxalic acid CAS Name: oxalic acid; 1-(10-phenothiazinyl)-3-[4-(phenylmethyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-phenothiazin-10-ylpropan-2-ol; oxalic acid Traditional Name: 1-(4-benzylpiperazino)-3-phenothiazin-10-yl-propan-2-ol; oxalic acid Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(CN3C4=CC=CC=C4SC5=CC=CC=C53)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC(CN3C4=CC=CC=C4SC5=CC=CC=C53)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H29N3OS.C2H2O4/c30-22(19-28-16-14-27(15-17-28)18-21-8-2-1-3-9-21)20-29-23-10-4-6-12-25(23)31-26-13-7-5-11-24(26)29;3-1(4)2(5)6/h1-13,22,30H,14-20H2;(H,3,4)(H,5,6)