1-methyl-4-(3-phenylsulfanylpropyl)-1,4-diazoniabicyclo[2.2.2]octane

Systemtic Name: 1-methyl-4-(3-phenylsulfanylpropyl)-1,4-diazoniabicyclo[2.2.2]octane Openeye Name: 1-methyl-4-(3-phenylsulfanylpropyl)-1,4-diazoniabicyclo[2.2.2]octane CAS Name: 1-methyl-4-[3-(phenylthio)propyl]-1,4-diazoniabicyclo[2.2.2]octane IUPAC Name: 1-methyl-4-(3-phenylsulfanylpropyl)-1,4-diazoniabicyclo[2.2.2]octane Traditional Name: 1-methyl-4-[3-(phenylthio)propyl]-1,4-diazoniabicyclo[2.2.2]octane Formula: C16H26N2S+2 MolecularWeight: 278.45604

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CC[N+](CC1)(CC2)CCCSC3=CC=CC=C3

Isomeric SMILES

C[N+]12CC[N+](CC1)(CC2)CCCSC3=CC=CC=C3

InChI

InChI=1S/C16H26N2S/c1-17-9-12-18(13-10-17,14-11-17)8-5-15-19-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3/q+2