6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-4H-1,4-benzothiazin-3-one CAS Name: 6-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-4H-1,4-benzothiazin-3-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-4H-1,4-benzothiazin-3-one Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C20H21N3O2S/c24-19-14-26-18-7-6-16(12-17(18)21-19)20(25)23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,21,24)/p+1