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

Systemtic Name: N-[3-(2-ethylpiperidin-1-ium-1-yl)propyl]-3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-benzylidene-N-[3-(2-ethylpiperidin-1-ium-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[3-(2-ethyl-1-piperidin-1-iumyl)propyl]-3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-benzylidene-N-[3-(2-ethylpiperidin-1-ium-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 2-benzal-N-[3-(2-ethylpiperidin-1-ium-1-yl)propyl]-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C26H32N3O2S+ MolecularWeight: 450.61618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3

Isomeric SMILES

CCC1CCCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3

InChI

InChI=1S/C26H31N3O2S/c1-2-21-11-6-7-15-29(21)16-8-14-27-25(30)20-12-13-23-22(18-20)28-26(31)24(32-23)17-19-9-4-3-5-10-19/h3-5,9-10,12-13,17-18,21H,2,6-8,11,14-16H2,1H3,(H,27,30)(H,28,31)/p+1