N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-benzylidene-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[2-(2-methyl-1-piperidin-1-iumyl)ethyl]-3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-benzylidene-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 2-benzal-3-keto-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3

Isomeric SMILES

CC1CCCC[NH+]1CCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3

InChI

InChI=1S/C24H27N3O2S/c1-17-7-5-6-13-27(17)14-12-25-23(28)19-10-11-21-20(16-19)26-24(29)22(30-21)15-18-8-3-2-4-9-18/h2-4,8-11,15-17H,5-7,12-14H2,1H3,(H,25,28)(H,26,29)/p+1