(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)-(4-phenyl-3H-1,3-thiazol-2-ylidene)azanium

Systemtic Name: (6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)-(4-phenyl-3H-1,3-thiazol-2-ylidene)azanium Openeye Name: (6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)-(4-phenyl-3H-thiazol-2-ylidene)ammonium CAS Name: (6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)-(4-phenyl-3H-thiazol-2-ylidene)ammonium IUPAC Name: (6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)-(4-phenyl-3H-1,3-thiazol-2-ylidene)azanium Traditional Name: (6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)-(4-phenyl-4-thiazolin-2-ylidene)ammonium Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=N1)[NH+]=C3NC(=CS3)C4=CC=CC=C4)OC)OC)C

Isomeric SMILES

CC1(CC2=CC(=C(C=C2C(=N1)[NH+]=C3NC(=CS3)C4=CC=CC=C4)OC)OC)C

InChI

InChI=1S/C22H23N3O2S/c1-22(2)12-15-10-18(26-3)19(27-4)11-16(15)20(25-22)24-21-23-17(13-28-21)14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3,(H,23,24,25)/p+1