2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-phenothiazin-10-yl-ethanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-phenothiazin-10-yl-ethanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-phenothiazin-10-yl-ethanone; 2-hydroxy-2-oxo-acetate CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-(10-phenothiazinyl)ethanone; 2-hydroxy-2-oxoacetate IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-phenothiazin-10-ylethanone; 2-hydroxy-2-oxoacetate Traditional Name: 1-phenothiazin-10-yl-2-(4-piperonylpiperazin-4-ium-1-yl)ethanone binoxalate Formula: C28H27N3O7S MolecularWeight: 549.59488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C26H25N3O3S.C2H2O4/c30-26(29-20-5-1-3-7-24(20)33-25-8-4-2-6-21(25)29)17-28-13-11-27(12-14-28)16-19-9-10-22-23(15-19)32-18-31-22;3-1(4)2(5)6/h1-10,15H,11-14,16-18H2;(H,3,4)(H,5,6)