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

Systemtic Name: 2-[[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]methylidene]-4H-1,4-benzothiazin-3-one Openeye Name: 2-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methylene]-4H-1,4-benzothiazin-3-one CAS Name: 2-[[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methylidene]-4H-1,4-benzothiazin-3-one IUPAC Name: 2-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one Traditional Name: 2-[4-(4-methylpiperazin-4-ium-1-carbonyl)benzylidene]-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=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

InChI

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