3,4-dimethyl-1,4-dihydroquinazolin-1-ium-2-one; 4-methylbenzenesulfonate

Systemtic Name: 3,4-dimethyl-1,4-dihydroquinazolin-1-ium-2-one; 4-methylbenzenesulfonate Openeye Name: 3,4-dimethyl-1,4-dihydroquinazolin-1-ium-2-one; 4-methylbenzenesulfonate CAS Name: 3,4-dimethyl-1,4-dihydroquinazolin-1-ium-2-one; 4-methylbenzenesulfonate IUPAC Name: 3,4-dimethyl-1,4-dihydroquinazolin-1-ium-2-one; 4-methylbenzenesulfonate Traditional Name: 3,4-dimethyl-1,4-dihydroquinazolin-1-ium-2-one tosylate Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2[NH2+]C(=O)N1C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1C2=CC=CC=C2[NH2+]C(=O)N1C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H12N2O.C7H8O3S/c1-7-8-5-3-4-6-9(8)11-10(13)12(7)2;1-6-2-4-7(5-3-6)11(8,9)10/h3-7H,1-2H3,(H,11,13);2-5H,1H3,(H,8,9,10)