3-isoquinolin-8-yl-8-methyl-2H-1,3-benzothiazin-3-ium

Systemtic Name: 3-isoquinolin-8-yl-8-methyl-2H-1,3-benzothiazin-3-ium Openeye Name: 3-(8-isoquinolyl)-8-methyl-2H-1,3-benzothiazin-3-ium CAS Name: 3-(8-isoquinolinyl)-8-methyl-2H-1,3-benzothiazin-3-ium IUPAC Name: 3-isoquinolin-8-yl-8-methyl-2H-1,3-benzothiazin-3-ium Traditional Name: 3-(8-isoquinolyl)-8-methyl-2H-1,3-benzothiazin-3-ium Formula: C18H15N2S+ MolecularWeight: 291.3901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1SC[N+](=C2)C3=CC=CC4=C3C=NC=C4

Isomeric SMILES

CC1=CC=CC2=C1SC[N+](=C2)C3=CC=CC4=C3C=NC=C4

InChI

InChI=1S/C18H15N2S/c1-13-4-2-6-15-11-20(12-21-18(13)15)17-7-3-5-14-8-9-19-10-16(14)17/h2-11H,12H2,1H3/q+1