4-methoxy-6-methyl-1,2-dihydropyrimidin-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 4-methoxy-6-methyl-1,2-dihydropyrimidin-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 4-methoxy-6-methyl-1,2-dihydropyrimidin-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 4-methoxy-6-methyl-1,2-dihydropyrimidin-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 4-methoxy-6-methyl-1,2-dihydropyrimidin-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (4-methoxy-6-methyl-1,2-dihydropyrimidin-3-ium-3-yl)amine; 2,4,6-trimethylbesylate Formula: C15H23N3O4S MolecularWeight: 341.42582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=CC(=[N+](CN1)N)OC

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=CC(=[N+](CN1)N)OC

InChI

InChI=1S/C9H12O3S.C6H11N3O/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-5-3-6(10-2)9(7)4-8-5/h4-5H,1-3H3,(H,10,11,12);3H,4,7H2,1-2H3