[2,3-bis(chloranyl)phenyl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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