(3,4-dimethoxyphenyl)methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [4-(methylthio)benzyl]-veratryl-ammonium Formula: C17H22NO2S+ MolecularWeight: 304.42708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CC2=CC=C(C=C2)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC2=CC=C(C=C2)SC)OC

InChI

InChI=1S/C17H21NO2S/c1-19-16-9-6-14(10-17(16)20-2)12-18-11-13-4-7-15(21-3)8-5-13/h4-10,18H,11-12H2,1-3H3/p+1