[4-(dodecylsulfanylmethyl)phenyl]-ethanethioyl-methyl-phenyl-azanium

Systemtic Name: [4-(dodecylsulfanylmethyl)phenyl]-ethanethioyl-methyl-phenyl-azanium Openeye Name: [4-(dodecylsulfanylmethyl)phenyl]-ethanethioyl-methyl-phenyl-ammonium CAS Name: [4-[(dodecylthio)methyl]phenyl]-methyl-phenyl-(1-sulfanylideneethyl)ammonium IUPAC Name: [4-(dodecylsulfanylmethyl)phenyl]-ethanethioyl-methyl-phenylazanium Traditional Name: [4-[(laurylthio)methyl]phenyl]-methyl-phenyl-thioacetyl-ammonium Formula: C28H42NS2+ MolecularWeight: 456.76978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC1=CC=C(C=C1)[N+](C)(C2=CC=CC=C2)C(=S)C

Isomeric SMILES

CCCCCCCCCCCCSCC1=CC=C(C=C1)[N+](C)(C2=CC=CC=C2)C(=S)C

InChI

InChI=1S/C28H42NS2/c1-4-5-6-7-8-9-10-11-12-16-23-31-24-26-19-21-28(22-20-26)29(3,25(2)30)27-17-14-13-15-18-27/h13-15,17-22H,4-12,16,23-24H2,1-3H3/q+1