3-methyl-2-[[4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]phenyl]methyl]-1,3-benzothiazol-3-ium dinitrate

Systemtic Name: 3-methyl-2-[[4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]phenyl]methyl]-1,3-benzothiazol-3-ium dinitrate Openeye Name: 3-methyl-2-[[4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]phenyl]methyl]-1,3-benzothiazol-3-ium dinitrate CAS Name: 3-methyl-2-[[4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]phenyl]methyl]-1,3-benzothiazol-3-ium dinitrate IUPAC Name: 3-methyl-2-[[4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]phenyl]methyl]-1,3-benzothiazol-3-ium dinitrate Traditional Name: 3-methyl-2-[4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]benzyl]-1,3-benzothiazol-3-ium dinitrate Formula: C24H22N4O6S2 MolecularWeight: 526.58468

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)CC3=CC=C(C=C3)CC4=[N+](C5=CC=CC=C5S4)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)CC3=CC=C(C=C3)CC4=[N+](C5=CC=CC=C5S4)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C24H22N2S2.2NO3/c1-25-19-7-3-5-9-21(19)27-23(25)15-17-11-13-18(14-12-17)16-24-26(2)20-8-4-6-10-22(20)28-24;2*2-1(3)4/h3-14H,15-16H2,1-2H3;;/q+2;2*-1