(4-bromophenyl)methyl-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]azanium

Systemtic Name: (4-bromophenyl)methyl-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]azanium Openeye Name: (4-bromophenyl)methyl-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]ammonium CAS Name: (4-bromophenyl)methyl-[3-[(4,6-dimethyl-2-pyrimidinyl)thio]propyl]ammonium IUPAC Name: (4-bromophenyl)methyl-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]azanium Traditional Name: (4-bromobenzyl)-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propyl]ammonium Formula: C16H21BrN3S+ MolecularWeight: 367.32704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC[NH2+]CC2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC[NH2+]CC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C16H20BrN3S/c1-12-10-13(2)20-16(19-12)21-9-3-8-18-11-14-4-6-15(17)7-5-14/h4-7,10,18H,3,8-9,11H2,1-2H3/p+1