3-(4-methoxyphenyl)-1,2-dimethyl-quinazolin-1-ium-4-one; methyl sulfate

Systemtic Name: 3-(4-methoxyphenyl)-1,2-dimethyl-quinazolin-1-ium-4-one; methyl sulfate Openeye Name: 3-(4-methoxyphenyl)-1,2-dimethyl-quinazolin-1-ium-4-one; methyl sulfate CAS Name: 3-(4-methoxyphenyl)-1,2-dimethyl-4-quinazolin-1-iumone; methyl sulfate IUPAC Name: 3-(4-methoxyphenyl)-1,2-dimethylquinazolin-1-ium-4-one; methyl sulfate Traditional Name: 3-(4-methoxyphenyl)-1,2-dimethyl-quinazolin-1-ium-4-one; methyl sulfate Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H17N2O2.CH4O4S/c1-12-18(2)16-7-5-4-6-15(16)17(20)19(12)13-8-10-14(21-3)11-9-13;1-5-6(2,3)4/h4-11H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1