[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-[2-(4-methylphenyl)sulfanylethyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-[2-(4-methylphenyl)sulfanylethyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-[2-(p-tolylsulfanyl)ethyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[2-[(4-methylphenyl)thio]ethyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[2-(4-methylphenyl)sulfanylethyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-[2-(p-tolylthio)ethyl]ammonium Formula: C19H25N2O3S+ MolecularWeight: 361.4784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC[NH2+]CC2=CC(=C(C=C2)OCC(=O)N)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC[NH2+]CC2=CC(=C(C=C2)OCC(=O)N)OC

InChI

InChI=1S/C19H24N2O3S/c1-14-3-6-16(7-4-14)25-10-9-21-12-15-5-8-17(18(11-15)23-2)24-13-19(20)22/h3-8,11,21H,9-10,12-13H2,1-2H3,(H2,20,22)/p+1