3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropylazanium

Systemtic Name: 3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropylazanium Openeye Name: 3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropylammonium CAS Name: 3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propylammonium IUPAC Name: 3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropylazanium Traditional Name: 3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propylammonium Formula: C14H18N3S+ MolecularWeight: 260.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCCC[NH3+])C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=CC(=N1)SCCC[NH3+])C2=CC=CC=C2

InChI

InChI=1S/C14H17N3S/c1-11-16-13(12-6-3-2-4-7-12)10-14(17-11)18-9-5-8-15/h2-4,6-7,10H,5,8-9,15H2,1H3/p+1