4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-(phenylmethylidene)-1,4-benzothiazin-3-one

Systemtic Name: 4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-(phenylmethylidene)-1,4-benzothiazin-3-one Openeye Name: 2-benzylidene-4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-4-ium-1-carbonyl)-1,4-benzothiazin-3-one CAS Name: 4-[(4-fluorophenyl)methyl]-6-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-(phenylmethylene)-1,4-benzothiazin-3-one IUPAC Name: 2-benzylidene-4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-4-ium-1-carbonyl)-1,4-benzothiazin-3-one Traditional Name: 2-benzal-4-(4-fluorobenzyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)-1,4-benzothiazin-3-one Formula: C28H27FN3O2S+ MolecularWeight: 488.596283

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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)N3CC5=CC=C(C=C5)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3CC5=CC=C(C=C5)F

InChI

InChI=1S/C28H26FN3O2S/c1-30-13-15-31(16-14-30)27(33)22-9-12-25-24(18-22)32(19-21-7-10-23(29)11-8-21)28(34)26(35-25)17-20-5-3-2-4-6-20/h2-12,17-18H,13-16,19H2,1H3/p+1