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

Systemtic Name: 1-methyl-4-(phenylsulfanylmethyl)-1,4-diazoniabicyclo[2.2.2]octane Openeye Name: 1-methyl-4-(phenylsulfanylmethyl)-1,4-diazoniabicyclo[2.2.2]octane CAS Name: 1-methyl-4-[(phenylthio)methyl]-1,4-diazoniabicyclo[2.2.2]octane IUPAC Name: 1-methyl-4-(phenylsulfanylmethyl)-1,4-diazoniabicyclo[2.2.2]octane Traditional Name: 1-methyl-4-[(phenylthio)methyl]-1,4-diazoniabicyclo[2.2.2]octane Formula: C14H22N2S+2 MolecularWeight: 250.40288

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CC[N+](CC1)(CC2)CSC3=CC=CC=C3

Isomeric SMILES

C[N+]12CC[N+](CC1)(CC2)CSC3=CC=CC=C3

InChI

InChI=1S/C14H22N2S/c1-15-7-10-16(11-8-15,12-9-15)13-17-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3/q+2