2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-methyl-(2-methylsulfonylsulfanylethyl)azanium

Systemtic Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-methyl-(2-methylsulfonylsulfanylethyl)azanium Openeye Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-methyl-(2-methylsulfonylsulfanylethyl)ammonium CAS Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-methyl-[2-(methylsulfonylthio)ethyl]ammonium IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-methyl-(2-methylsulfonylsulfanylethyl)azanium Traditional Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-[2-(mesylthio)ethyl]-methyl-ammonium Formula: C28H34NO3S2+ MolecularWeight: 496.70446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCC[NH+](C)CCSS(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCC[NH+](C)CCSS(=O)(=O)C)/C3=CC=CC=C3

InChI

InChI=1S/C28H33NO3S2/c1-4-27(23-11-7-5-8-12-23)28(24-13-9-6-10-14-24)25-15-17-26(18-16-25)32-21-19-29(2)20-22-33-34(3,30)31/h5-18H,4,19-22H2,1-3H3/p+1/b28-27-