benzo[e][1,3]benzothiazol-1-ium; 6-methoxy-1,3-benzothiazol-3-ium

Systemtic Name: benzo[e][1,3]benzothiazol-1-ium; 6-methoxy-1,3-benzothiazol-3-ium Openeye Name: benzo[e][1,3]benzothiazol-1-ium; 6-methoxy-1,3-benzothiazol-3-ium CAS Name: benzo[e][1,3]benzothiazol-1-ium; 6-methoxy-1,3-benzothiazol-3-ium IUPAC Name: benzo[e][1,3]benzothiazol-1-ium; 6-methoxy-1,3-benzothiazol-3-ium Traditional Name: benzo[e][1,3]benzothiazol-1-ium; 6-methoxy-1,3-benzothiazol-3-ium Formula: C19H16N2OS2+2 MolecularWeight: 352.47314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[NH+]=CS2.C1=CC=C2C(=C1)C=CC3=C2[NH+]=CS3

Isomeric SMILES

COC1=CC2=C(C=C1)[NH+]=CS2.C1=CC=C2C(=C1)C=CC3=C2[NH+]=CS3

InChI

InChI=1S/C11H7NS.C8H7NOS/c1-2-4-9-8(3-1)5-6-10-11(9)12-7-13-10;1-10-6-2-3-7-8(4-6)11-5-9-7/h1-7H;2-5H,1H3/p+2