(5-chloranyl-2-ethoxy-phenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium

Systemtic Name: (5-chloranyl-2-ethoxy-phenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Openeye Name: (5-chloro-2-ethoxy-phenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)ammonium CAS Name: (5-chloro-2-ethoxyphenyl)methyl-[3-(2-pyrimidinylthio)propyl]ammonium IUPAC Name: (5-chloro-2-ethoxyphenyl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Traditional Name: (5-chloro-2-ethoxy-benzyl)-[3-(2-pyrimidylthio)propyl]ammonium Formula: C16H21ClN3OS+ MolecularWeight: 338.87544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C[NH2+]CCCSC2=NC=CC=N2

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C[NH2+]CCCSC2=NC=CC=N2

InChI

InChI=1S/C16H20ClN3OS/c1-2-21-15-6-5-14(17)11-13(15)12-18-7-4-10-22-16-19-8-3-9-20-16/h3,5-6,8-9,11,18H,2,4,7,10,12H2,1H3/p+1