6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one CAS Name: 6-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one Traditional Name: 6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C18H18N4O2S/c23-17-12-25-15-5-4-13(11-14(15)20-17)18(24)22-9-7-21(8-10-22)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2,(H,20,23)/p+1