N-[3-(2-methylpiperidin-1-ium-1-yl)propyl]-2-[3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazin-4-yl]ethanamide

Systemtic Name: N-[3-(2-methylpiperidin-1-ium-1-yl)propyl]-2-[3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazin-4-yl]ethanamide Openeye Name: 2-(2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)-N-[3-(2-methylpiperidin-1-ium-1-yl)propyl]acetamide CAS Name: N-[3-(2-methyl-1-piperidin-1-iumyl)propyl]-2-[3-oxo-2-(phenylmethylene)-1,4-benzothiazin-4-yl]acetamide IUPAC Name: 2-(2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)-N-[3-(2-methylpiperidin-1-ium-1-yl)propyl]acetamide Traditional Name: 2-(2-benzal-3-keto-1,4-benzothiazin-4-yl)-N-[3-(2-methylpiperidin-1-ium-1-yl)propyl]acetamide Formula: C26H32N3O2S+ MolecularWeight: 450.61618

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC=CC=C4)C2=O

Isomeric SMILES

CC1CCCC[NH+]1CCCNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC=CC=C4)C2=O

InChI

InChI=1S/C26H31N3O2S/c1-20-10-7-8-16-28(20)17-9-15-27-25(30)19-29-22-13-5-6-14-23(22)32-24(26(29)31)18-21-11-3-2-4-12-21/h2-6,11-14,18,20H,7-10,15-17,19H2,1H3,(H,27,30)/p+1