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

Systemtic Name: [5-(3-chloranyl-2-methyl-phenyl)furan-2-yl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Openeye Name: [5-(3-chloro-2-methyl-phenyl)-2-furyl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)ammonium CAS Name: [5-(3-chloro-2-methylphenyl)-2-furanyl]methyl-[3-(2-pyrimidinylthio)propyl]ammonium IUPAC Name: [5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Traditional Name: [5-(3-chloro-2-methyl-phenyl)-2-furyl]methyl-[3-(2-pyrimidylthio)propyl]ammonium Formula: C19H21ClN3OS+ MolecularWeight: 374.90754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)C2=CC=C(O2)C[NH2+]CCCSC3=NC=CC=N3

Isomeric SMILES

CC1=C(C=CC=C1Cl)C2=CC=C(O2)C[NH2+]CCCSC3=NC=CC=N3

InChI

InChI=1S/C19H20ClN3OS/c1-14-16(5-2-6-17(14)20)18-8-7-15(24-18)13-21-9-4-12-25-19-22-10-3-11-23-19/h2-3,5-8,10-11,21H,4,9,12-13H2,1H3/p+1