(4-methylphenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium

Systemtic Name: (4-methylphenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Openeye Name: p-tolylmethyl(3-pyrimidin-2-ylsulfanylpropyl)ammonium CAS Name: (4-methylphenyl)methyl-[3-(2-pyrimidinylthio)propyl]ammonium IUPAC Name: (4-methylphenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Traditional Name: (4-methylbenzyl)-[3-(2-pyrimidylthio)propyl]ammonium Formula: C15H20N3S+ MolecularWeight: 274.4044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH2+]CCCSC2=NC=CC=N2

Isomeric SMILES

CC1=CC=C(C=C1)C[NH2+]CCCSC2=NC=CC=N2

InChI

InChI=1S/C15H19N3S/c1-13-4-6-14(7-5-13)12-16-8-3-11-19-15-17-9-2-10-18-15/h2,4-7,9-10,16H,3,8,11-12H2,1H3/p+1