(3,4-dimethoxyphenyl)methyl-(3-methylsulfanylpropyl)azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-(3-methylsulfanylpropyl)azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-(3-methylsulfanylpropyl)ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[3-(methylthio)propyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-(3-methylsulfanylpropyl)azanium Traditional Name: 3-(methylthio)propyl-veratryl-ammonium Formula: C13H22NO2S+ MolecularWeight: 256.38428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCCSC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCCSC)OC

InChI

InChI=1S/C13H21NO2S/c1-15-12-6-5-11(9-13(12)16-2)10-14-7-4-8-17-3/h5-6,9,14H,4,7-8,10H2,1-3H3/p+1