3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl-(phenylmethyl)azanium

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]ammonium CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]propyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]azanium Traditional Name: benzyl-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propyl]ammonium Formula: C16H22N3S+ MolecularWeight: 288.43098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3S/c1-13-11-14(2)19-16(18-13)20-10-6-9-17-12-15-7-4-3-5-8-15/h3-5,7-8,11,17H,6,9-10,12H2,1-2H3/p+1