6-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-(phenylmethylidene)-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-(phenylmethylidene)-4H-1,4-benzothiazin-3-one Openeye Name: 2-benzylidene-6-(4-methylpiperazin-4-ium-1-carbonyl)-4H-1,4-benzothiazin-3-one CAS Name: 6-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-(phenylmethylene)-4H-1,4-benzothiazin-3-one IUPAC Name: 2-benzylidene-6-(4-methylpiperazin-4-ium-1-carbonyl)-4H-1,4-benzothiazin-3-one Traditional Name: 2-benzal-6-(4-methylpiperazin-4-ium-1-carbonyl)-4H-1,4-benzothiazin-3-one Formula: C21H22N3O2S+ MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3

InChI

InChI=1S/C21H21N3O2S/c1-23-9-11-24(12-10-23)21(26)16-7-8-18-17(14-16)22-20(25)19(27-18)13-15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,25)/p+1