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

Systemtic Name: N-[3-(4-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-(4-methylpiperidin-1-ium-1-yl)propyl]acetamide CAS Name: N-[3-(4-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-(4-methylpiperidin-1-ium-1-yl)propyl]acetamide Traditional Name: 2-(2-benzal-3-keto-1,4-benzothiazin-4-yl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]acetamide Formula: C26H32N3O2S+ MolecularWeight: 450.61618

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC=CC=C4)C2=O

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC=CC=C4)C2=O

InChI

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