6-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]-4H-1,4-benzothiazin-3-one CAS Name: 6-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]-4H-1,4-benzothiazin-3-one Traditional Name: 6-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]-4H-1,4-benzothiazin-3-one Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C19H24N4O3S/c24-17-13-27-16-4-3-14(11-15(16)20-17)19(26)23-9-7-21(8-10-23)12-18(25)22-5-1-2-6-22/h3-4,11H,1-2,5-10,12-13H2,(H,20,24)/p+1