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

Systemtic Name: (2,4-dichlorophenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Openeye Name: (2,4-dichlorophenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)ammonium CAS Name: (2,4-dichlorophenyl)methyl-[3-(2-pyrimidinylthio)propyl]ammonium IUPAC Name: (2,4-dichlorophenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Traditional Name: (2,4-dichlorobenzyl)-[3-(2-pyrimidylthio)propyl]ammonium Formula: C14H16Cl2N3S+ MolecularWeight: 329.26794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCCC[NH2+]CC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CN=C(N=C1)SCCC[NH2+]CC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H15Cl2N3S/c15-12-4-3-11(13(16)9-12)10-17-5-2-8-20-14-18-6-1-7-19-14/h1,3-4,6-7,9,17H,2,5,8,10H2/p+1