[2-[3-[2-(diethylamino)-4-ethyl-phenyl]-3-oxidanylidene-propyl]phenyl]sulfanium bromide

Systemtic Name: [2-[3-[2-(diethylamino)-4-ethyl-phenyl]-3-oxidanylidene-propyl]phenyl]sulfanium bromide Openeye Name: [2-[3-[2-(diethylamino)-4-ethyl-phenyl]-3-oxo-propyl]phenyl]sulfonium bromide CAS Name: [2-[3-[2-(diethylamino)-4-ethylphenyl]-3-oxopropyl]phenyl]sulfonium bromide IUPAC Name: [2-[3-[2-(diethylamino)-4-ethylphenyl]-3-oxopropyl]phenyl]sulfanium bromide Traditional Name: [2-[3-[2-(diethylamino)-4-ethyl-phenyl]-3-keto-propyl]phenyl]sulfonium bromide Formula: C21H28BrNOS MolecularWeight: 422.42212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C(=O)CCC2=CC=CC=C2[SH2+])N(CC)CC.[Br-]

Isomeric SMILES

CCC1=CC(=C(C=C1)C(=O)CCC2=CC=CC=C2[SH2+])N(CC)CC.[Br-]

InChI

InChI=1S/C21H27NOS.BrH/c1-4-16-11-13-18(19(15-16)22(5-2)6-3)20(23)14-12-17-9-7-8-10-21(17)24;/h7-11,13,15,24H,4-6,12,14H2,1-3H3;1H