(4-methoxyphenyl)methyl-methyl-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-methyl-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-methoxyphenyl)methyl-methyl-[2-oxo-2-[2-(p-tolylmethylsulfanyl)ethylamino]ethyl]ammonium CAS Name: (4-methoxyphenyl)methyl-methyl-[2-[2-[(4-methylphenyl)methylthio]ethylamino]-2-oxoethyl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-methyl-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[2-[(4-methylbenzyl)thio]ethylamino]ethyl]-methyl-p-anisyl-ammonium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C[NH+](C)CC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C[NH+](C)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H28N2O2S/c1-17-4-6-19(7-5-17)16-26-13-12-22-21(24)15-23(2)14-18-8-10-20(25-3)11-9-18/h4-11H,12-16H2,1-3H3,(H,22,24)/p+1