(3-chloranyl-4,5-dimethoxy-phenyl)methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium

Systemtic Name: (3-chloranyl-4,5-dimethoxy-phenyl)methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium Openeye Name: (3-chloro-4,5-dimethoxy-phenyl)methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]ammonium CAS Name: (3-chloro-4,5-dimethoxyphenyl)methyl-[2-[(1-methyl-2-imidazolyl)thio]ethyl]ammonium IUPAC Name: (3-chloro-4,5-dimethoxyphenyl)methyl-[2-(1-methylimidazol-2-yl)sulfanylethyl]azanium Traditional Name: (3-chloro-4,5-dimethoxy-benzyl)-[2-[(1-methylimidazol-2-yl)thio]ethyl]ammonium Formula: C15H21ClN3O2S+ MolecularWeight: 342.86414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC[NH2+]CC2=CC(=C(C(=C2)Cl)OC)OC

Isomeric SMILES

CN1C=CN=C1SCC[NH2+]CC2=CC(=C(C(=C2)Cl)OC)OC

InChI

InChI=1S/C15H20ClN3O2S/c1-19-6-4-18-15(19)22-7-5-17-10-11-8-12(16)14(21-3)13(9-11)20-2/h4,6,8-9,17H,5,7,10H2,1-3H3/p+1