butanedioic acid; 10-[3-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine

Systemtic Name: butanedioic acid; 10-[3-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine Openeye Name: 10-[3-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine; succinic acid CAS Name: butanedioic acid; 10-[3-[4-[2-(1,3-dioxan-2-yl)ethyl]-1-piperazinyl]propyl]-2-(trifluoromethyl)phenothiazine IUPAC Name: butanedioic acid; 10-[3-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine Traditional Name: 10-[3-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazino]propyl]-2-(trifluoromethyl)phenothiazine; succinic acid Formula: C34H44F3N3O10S MolecularWeight: 743.78747

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)CCN2CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F.C(CC(=O)O)C(=O)O.C(CC(=O)O)C(=O)O

Isomeric SMILES

C1COC(OC1)CCN2CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F.C(CC(=O)O)C(=O)O.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C26H32F3N3O2S.2C4H6O4/c27-26(28,29)20-7-8-24-22(19-20)32(21-5-1-2-6-23(21)35-24)11-3-10-30-13-15-31(16-14-30)12-9-25-33-17-4-18-34-25;2*5-3(6)1-2-4(7)8/h1-2,5-8,19,25H,3-4,9-18H2;2*1-2H2,(H,5,6)(H,7,8)