3-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 3-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: 3-oxo-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C26H27N4O2S+ MolecularWeight: 459.58318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)SCC(=O)N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)SCC(=O)N5

InChI

InChI=1S/C26H26N4O2S/c31-25-18-33-24-11-6-20(16-23(24)28-25)26(32)27-21-7-9-22(10-8-21)30-14-12-29(13-15-30)17-19-4-2-1-3-5-19/h1-11,16H,12-15,17-18H2,(H,27,32)(H,28,31)/p+1