(3-azanylidene-8,9-dimethoxy-1-methyl-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-4-ium-4-yl) thiocyanate

Systemtic Name: (3-azanylidene-8,9-dimethoxy-1-methyl-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-4-ium-4-yl) thiocyanate Openeye Name: (3-imino-8,9-dimethoxy-1-methyl-5,6-dihydrothiazolo[4,3-a]isoquinolin-4-ium-4-yl) thiocyanate CAS Name: thiocyanic acid (3-imino-8,9-dimethoxy-1-methyl-5,6-dihydrothiazolo[4,3-a]isoquinolin-4-ium-4-yl) ester IUPAC Name: (3-imino-8,9-dimethoxy-1-methyl-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-4-ium-4-yl) thiocyanate Traditional Name: thiocyanic acid (3-imino-8,9-dimethoxy-1-methyl-5,6-dihydrothiazol[4,3-a]isoquinolin-4-ium-4-yl) ester Formula: C15H16N3O2S2+ MolecularWeight: 334.43644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C3=CC(=C(C=C3CC[N+]2(C(=N)S1)SC#N)OC)OC

Isomeric SMILES

CC1=C2C3=CC(=C(C=C3CC[N+]2(C(=N)S1)SC#N)OC)OC

InChI

InChI=1S/C15H16N3O2S2/c1-9-14-11-7-13(20-3)12(19-2)6-10(11)4-5-18(14,21-8-16)15(17)22-9/h6-7,17H,4-5H2,1-3H3/q+1