(2,4-dimethoxyphenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium

Systemtic Name: (2,4-dimethoxyphenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Openeye Name: (2,4-dimethoxyphenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)ammonium CAS Name: (2,4-dimethoxyphenyl)methyl-[3-(2-pyrimidinylthio)propyl]ammonium IUPAC Name: (2,4-dimethoxyphenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Traditional Name: (2,4-dimethoxybenzyl)-[3-(2-pyrimidylthio)propyl]ammonium Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]CCCSC2=NC=CC=N2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+]CCCSC2=NC=CC=N2)OC

InChI

InChI=1S/C16H21N3O2S/c1-20-14-6-5-13(15(11-14)21-2)12-17-7-4-10-22-16-18-8-3-9-19-16/h3,5-6,8-9,11,17H,4,7,10,12H2,1-2H3/p+1