N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C21H24N4O2S/c1-2-24-9-11-25(12-10-24)18-6-4-3-5-16(18)23-21(27)15-7-8-19-17(13-15)22-20(26)14-28-19/h3-8,13H,2,9-12,14H2,1H3,(H,22,26)(H,23,27)/p+1