3-(4-bromanyl-3-methyl-phenyl)-4,6,6-trimethyl-1,5-dihydropyrimidin-3-ium-2-thione

Systemtic Name: 3-(4-bromanyl-3-methyl-phenyl)-4,6,6-trimethyl-1,5-dihydropyrimidin-3-ium-2-thione Openeye Name: 3-(4-bromo-3-methyl-phenyl)-4,6,6-trimethyl-1,5-dihydropyrimidin-3-ium-2-thione CAS Name: 3-(4-bromo-3-methylphenyl)-4,6,6-trimethyl-1,5-dihydropyrimidin-3-ium-2-thione IUPAC Name: 3-(4-bromo-3-methylphenyl)-4,6,6-trimethyl-1,5-dihydropyrimidin-3-ium-2-thione Traditional Name: 3-(4-bromo-3-methyl-phenyl)-4,6,6-trimethyl-1,5-dihydropyrimidin-3-ium-2-thione Formula: C14H18BrN2S+ MolecularWeight: 326.27512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=S)NC(C1)(C)C)C2=CC(=C(C=C2)Br)C

Isomeric SMILES

CC1=[N+](C(=S)NC(C1)(C)C)C2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C14H17BrN2S/c1-9-7-11(5-6-12(9)15)17-10(2)8-14(3,4)16-13(17)18/h5-7H,8H2,1-4H3/p+1