2,4-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]benzenesulfonate; pyrimidin-1-ium-1,2-diamine

Systemtic Name: 2,4-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]benzenesulfonate; pyrimidin-1-ium-1,2-diamine Openeye Name: 2,4-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]benzenesulfonate; pyrimidin-1-ium-1,2-diamine CAS Name: 2,4-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]benzenesulfonate; pyrimidin-1-ium-1,2-diamine IUPAC Name: 2,4-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]benzenesulfonate; pyrimidin-1-ium-1,2-diamine Traditional Name: (1-aminopyrimidin-1-ium-2-yl)amine; 2,4-dimethyl-6-(2,4,6-trimethylbenzyl)besylate Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CC2=CC(=CC(=C2S(=O)(=O)[O-])C)C)C.C1=CN=C([N+](=C1)N)N

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CC2=CC(=CC(=C2S(=O)(=O)[O-])C)C)C.C1=CN=C([N+](=C1)N)N

InChI

InChI=1S/C18H22O3S.C4H6N4/c1-11-6-13(3)17(14(4)7-11)10-16-9-12(2)8-15(5)18(16)22(19,20)21;5-4-7-2-1-3-8(4)6/h6-9H,10H2,1-5H3,(H,19,20,21);1-3,5H,6H2