6-(4-phenylpiperazin-1-yl)carbonyl-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-(4-phenylpiperazin-1-yl)carbonyl-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazin-3-one Openeye Name: 6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazin-3-one CAS Name: 6-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-(1-pyrrolidin-1-iumyl)-4H-1,4-benzothiazin-3-one IUPAC Name: 6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazin-3-one Traditional Name: 6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazin-3-one Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C23H26N4O2S/c28-21-23(27-10-4-5-11-27)30-20-9-8-17(16-19(20)24-21)22(29)26-14-12-25(13-15-26)18-6-2-1-3-7-18/h1-3,6-9,16,23H,4-5,10-15H2,(H,24,28)/p+1