2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one

Systemtic Name: 2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one Openeye Name: 2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one CAS Name: 2-[[4-(1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone IUPAC Name: 2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one Traditional Name: 2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]methyl]-3-hydroxy-6-methylol-pyran-4-one Formula: C18H20N3O4S+ MolecularWeight: 374.4341

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C(=O)C=C(O2)CO)O)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C(=O)C=C(O2)CO)O)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C18H19N3O4S/c22-11-12-9-14(23)17(24)15(25-12)10-20-5-7-21(8-6-20)18-13-3-1-2-4-16(13)26-19-18/h1-4,9,22,24H,5-8,10-11H2/p+1