N-cyclopropyl-2-[4-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-(3-keto-4H-1,4-benzothiazine-6-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C18H22N4O3S/c23-16(19-13-2-3-13)10-21-5-7-22(8-6-21)18(25)12-1-4-15-14(9-12)20-17(24)11-26-15/h1,4,9,13H,2-3,5-8,10-11H2,(H,19,23)(H,20,24)/p+1