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

Systemtic Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2-(phenylmethylidene)-1,4-benzothiazin-3-one Openeye Name: 2-benzylidene-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1,4-benzothiazin-3-one CAS Name: 4-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-2-(phenylmethylene)-1,4-benzothiazin-3-one IUPAC Name: 2-benzylidene-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-1,4-benzothiazin-3-one Traditional Name: 2-benzal-4-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1,4-benzothiazin-3-one Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN2C3=CC=CC=C3SC(=CC4=CC=CC=C4)C2=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN2C3=CC=CC=C3SC(=CC4=CC=CC=C4)C2=O

InChI

InChI=1S/C22H23N3O2S/c1-23-11-13-24(14-12-23)21(26)16-25-18-9-5-6-10-19(18)28-20(22(25)27)15-17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3/p+1