[5-(3-chloranyl-4-methoxy-phenyl)furan-2-yl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium

Systemtic Name: [5-(3-chloranyl-4-methoxy-phenyl)furan-2-yl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Openeye Name: [5-(3-chloro-4-methoxy-phenyl)-2-furyl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)ammonium CAS Name: [5-(3-chloro-4-methoxyphenyl)-2-furanyl]methyl-[3-(2-pyrimidinylthio)propyl]ammonium IUPAC Name: [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Traditional Name: [5-(3-chloro-4-methoxy-phenyl)-2-furyl]methyl-[3-(2-pyrimidylthio)propyl]ammonium Formula: C19H21ClN3O2S+ MolecularWeight: 390.90694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(O2)C[NH2+]CCCSC3=NC=CC=N3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(O2)C[NH2+]CCCSC3=NC=CC=N3)Cl

InChI

InChI=1S/C19H20ClN3O2S/c1-24-18-6-4-14(12-16(18)20)17-7-5-15(25-17)13-21-8-3-11-26-19-22-9-2-10-23-19/h2,4-7,9-10,12,21H,3,8,11,13H2,1H3/p+1