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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [4-(methylthio)benzyl]-[2-(veratroylamino)ethyl]ammonium Formula: C19H25N2O3S+ MolecularWeight: 361.4784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3S/c1-23-17-9-6-15(12-18(17)24-2)19(22)21-11-10-20-13-14-4-7-16(25-3)8-5-14/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22)/p+1