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

Systemtic Name: 4-chloranyl-6-methyl-1,2-dihydropyrimidin-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 4-chloro-6-methyl-1,2-dihydropyrimidin-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 4-chloro-6-methyl-1,2-dihydropyrimidin-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 4-chloro-6-methyl-1,2-dihydropyrimidin-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (4-chloro-6-methyl-1,2-dihydropyrimidin-3-ium-3-yl)amine; 2,4,6-trimethylbesylate Formula: C14H20ClN3O3S MolecularWeight: 345.8449

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.C5H8ClN3/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-4-2-5(6)9(7)3-8-4/h4-5H,1-3H3,(H,10,11,12);2H,3,7H2,1H3