(4-methylsulfanylphenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium

Systemtic Name: (4-methylsulfanylphenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: (4-methylsulfanylphenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: [4-(methylthio)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: (4-methylsulfanylphenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: [4-(methylthio)benzyl]-(3,4,5-trimethoxybenzyl)ammonium Formula: C18H24NO3S+ MolecularWeight: 334.45306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH2+]CC2=CC=C(C=C2)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH2+]CC2=CC=C(C=C2)SC

InChI

InChI=1S/C18H23NO3S/c1-20-16-9-14(10-17(21-2)18(16)22-3)12-19-11-13-5-7-15(23-4)8-6-13/h5-10,19H,11-12H2,1-4H3/p+1