2-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]methylidene]-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]methylidene]-4H-1,4-benzothiazin-3-one Openeye Name: 2-[[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]methylene]-4H-1,4-benzothiazin-3-one CAS Name: 2-[[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]methylidene]-4H-1,4-benzothiazin-3-one IUPAC Name: 2-[[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one Traditional Name: 2-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzylidene]-4H-1,4-benzothiazin-3-one Formula: C25H23N4O2S+ MolecularWeight: 443.54072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)C=C4C(=O)NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)C=C4C(=O)NC5=CC=CC=C5S4

InChI

InChI=1S/C25H22N4O2S/c30-24-22(32-21-6-2-1-5-20(21)27-24)17-18-8-10-19(11-9-18)25(31)29-15-13-28(14-16-29)23-7-3-4-12-26-23/h1-12,17H,13-16H2,(H,27,30)/p+1