[(1S)-2-azaniumyl-1-(4-methylsulfanylphenyl)ethyl]-dibutyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(4-methylsulfanylphenyl)ethyl]-dibutyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-methylsulfanylphenyl)ethyl]-dibutyl-ammonium CAS Name: [(1S)-2-ammonio-1-[4-(methylthio)phenyl]ethyl]-dibutylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-methylsulfanylphenyl)ethyl]-dibutylazanium Traditional Name: [(1S)-2-ammonio-1-[4-(methylthio)phenyl]ethyl]-dibutyl-ammonium Formula: C17H32N2S+2 MolecularWeight: 296.51438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)C(C[NH3+])C1=CC=C(C=C1)SC

Isomeric SMILES

CCCC[NH+](CCCC)[C@H](C[NH3+])C1=CC=C(C=C1)SC

InChI

InChI=1S/C17H30N2S/c1-4-6-12-19(13-7-5-2)17(14-18)15-8-10-16(20-3)11-9-15/h8-11,17H,4-7,12-14,18H2,1-3H3/p+2/t17-/m1/s1