2-oxidanidyl-1-oxidanylidene-2-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-2-ium-3-one

Systemtic Name: 2-oxidanidyl-1-oxidanylidene-2-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-2-ium-3-one Openeye Name: 2-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2-oxido-1-oxo-1,2-benzothiazol-2-ium-3-one CAS Name: 2-[2-hydroxy-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-2-oxido-1-oxo-1,2-benzothiazol-2-ium-3-one IUPAC Name: 2-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2-oxido-1-oxo-1,2-benzothiazol-2-ium-3-one Traditional Name: 2-[2-hydroxy-3-[4-(2-pyrimidyl)piperazino]propyl]-1-keto-2-oxido-1,2-benzothiazol-2-ium-3-one Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C[N+]2(C(=O)C3=CC=CC=C3S2=O)[O-])O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC(C[N+]2(C(=O)C3=CC=CC=C3S2=O)[O-])O)C4=NC=CC=N4

InChI

InChI=1S/C18H21N5O4S/c24-14(12-21-8-10-22(11-9-21)18-19-6-3-7-20-18)13-23(26)17(25)15-4-1-2-5-16(15)28(23)27/h1-7,14,24H,8-13H2