4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-2-(phenylmethylidene)-1,4-benzothiazin-3-one

Systemtic Name: 4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-2-(phenylmethylidene)-1,4-benzothiazin-3-one Openeye Name: 2-benzylidene-4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one CAS Name: 4-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-2-(phenylmethylene)-1,4-benzothiazin-3-one IUPAC Name: 2-benzylidene-4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one Traditional Name: 2-benzal-4-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-1,4-benzothiazin-3-one Formula: C26H25N4O2S+ MolecularWeight: 457.5673

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C4=CC=CC=C4SC(=CC5=CC=CC=C5)C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C4=CC=CC=C4SC(=CC5=CC=CC=C5)C3=O

InChI

InChI=1S/C26H24N4O2S/c31-25(29-16-14-28(15-17-29)24-12-6-7-13-27-24)19-30-21-10-4-5-11-22(21)33-23(26(30)32)18-20-8-2-1-3-9-20/h1-13,18H,14-17,19H2/p+1