N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-benzylidene-N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[3-(3,5-dimethyl-1-piperidin-1-iumyl)propyl]-3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-benzylidene-N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 2-benzal-N-[3-(3,5-dimethylpiperidin-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:

CC1CC(C[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3)C

Isomeric SMILES

CC1CC(C[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3)C

InChI

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