dimethyl-[2-[(4-methylsulfanylphenyl)methyl-(phenylmethyl)azaniumyl]ethyl]azanium

Systemtic Name: dimethyl-[2-[(4-methylsulfanylphenyl)methyl-(phenylmethyl)azaniumyl]ethyl]azanium Openeye Name: benzyl-[2-(dimethylammonio)ethyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: dimethyl-[2-[[4-(methylthio)phenyl]methyl-(phenylmethyl)ammonio]ethyl]ammonium IUPAC Name: benzyl-[2-(dimethylazaniumyl)ethyl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: benzyl-[2-(dimethylammonio)ethyl]-[4-(methylthio)benzyl]ammonium Formula: C19H28N2S+2 MolecularWeight: 316.50402

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH+](CC1=CC=CC=C1)CC2=CC=C(C=C2)SC

Isomeric SMILES

C[NH+](C)CC[NH+](CC1=CC=CC=C1)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C19H26N2S/c1-20(2)13-14-21(15-17-7-5-4-6-8-17)16-18-9-11-19(22-3)12-10-18/h4-12H,13-16H2,1-3H3/p+2