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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl-[(4-methylphenyl)methyl]azanium Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl-(p-tolylmethyl)ammonium CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]propyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl-[(4-methylphenyl)methyl]azanium Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]propyl-(4-methylbenzyl)ammonium Formula: C17H24N3S+ MolecularWeight: 302.45756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3S/c1-13-5-7-16(8-6-13)12-18-9-4-10-21-17-19-14(2)11-15(3)20-17/h5-8,11,18H,4,9-10,12H2,1-3H3/p+1