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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC=CC=C4)C2=O

Isomeric SMILES

CC1CCC[NH+](C1)CCCNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC=CC=C4)C2=O

InChI

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