4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-1,4-benzothiazin-3-one

Systemtic Name: 4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-1,4-benzothiazin-3-one Openeye Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1,4-benzothiazin-3-one CAS Name: 4-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-1,4-benzothiazin-3-one Traditional Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-1,4-benzothiazin-3-one Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O2S/c25-20(15-24-18-8-4-5-9-19(18)27-16-21(24)26)23-12-10-22(11-13-23)14-17-6-2-1-3-7-17/h1-9H,10-16H2/p+1