(4-methylsulfanylphenyl)methyl-[2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl]azanium

Systemtic Name: (4-methylsulfanylphenyl)methyl-[2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl]azanium Openeye Name: (4-methylsulfanylphenyl)methyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]ammonium CAS Name: [4-(methylthio)phenyl]methyl-[2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethyl]ammonium IUPAC Name: (4-methylsulfanylphenyl)methyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]azanium Traditional Name: [4-(methylthio)benzyl]-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]ammonium Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-24-17-11-15(12-18(25-2)19(17)26-3)20(23)22-10-9-21-13-14-5-7-16(27-4)8-6-14/h5-8,11-12,21H,9-10,13H2,1-4H3,(H,22,23)/p+1