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

Systemtic Name: 4-[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-keto-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]piperazin-4-ium-2-one Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)N2C(CSC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)N2[C@H](CSC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S/c24-19-12-22(11-10-21-19)13-20(25)23-16-8-4-5-9-18(16)26-14-17(23)15-6-2-1-3-7-15/h1-9,17H,10-14H2,(H,21,24)/p+1/t17-/m1/s1