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

Systemtic Name: 2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methylidene]-4H-1,4-benzothiazin-3-one Openeye Name: 2-[[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]methylene]-4H-1,4-benzothiazin-3-one CAS Name: 2-[[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]methylidene]-4H-1,4-benzothiazin-3-one IUPAC Name: 2-[[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one Traditional Name: 2-[4-(4-benzylpiperazin-4-ium-1-carbonyl)benzylidene]-4H-1,4-benzothiazin-3-one Formula: C27H26N3O2S+ MolecularWeight: 456.57924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C=C4C(=O)NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C=C4C(=O)NC5=CC=CC=C5S4

InChI

InChI=1S/C27H25N3O2S/c31-26-25(33-24-9-5-4-8-23(24)28-26)18-20-10-12-22(13-11-20)27(32)30-16-14-29(15-17-30)19-21-6-2-1-3-7-21/h1-13,18H,14-17,19H2,(H,28,31)/p+1