1-[2-[3-(4-methylpyridin-1-ium-1-yl)propoxy]ethyl]-4-phenylsulfanyl-pyridin-1-ium

Systemtic Name: 1-[2-[3-(4-methylpyridin-1-ium-1-yl)propoxy]ethyl]-4-phenylsulfanyl-pyridin-1-ium Openeye Name: 1-[2-[3-(4-methylpyridin-1-ium-1-yl)propoxy]ethyl]-4-phenylsulfanyl-pyridin-1-ium CAS Name: 1-[2-[3-(4-methyl-1-pyridin-1-iumyl)propoxy]ethyl]-4-(phenylthio)pyridin-1-ium IUPAC Name: 1-[2-[3-(4-methylpyridin-1-ium-1-yl)propoxy]ethyl]-4-phenylsulfanylpyridin-1-ium Traditional Name: 1-[2-[3-(4-methylpyridin-1-ium-1-yl)propoxy]ethyl]-4-(phenylthio)pyridin-1-ium Formula: C22H26N2OS+2 MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CCCOCC[N+]2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC=[N+](C=C1)CCCOCC[N+]2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H26N2OS/c1-20-8-13-23(14-9-20)12-5-18-25-19-17-24-15-10-22(11-16-24)26-21-6-3-2-4-7-21/h2-4,6-11,13-16H,5,12,17-19H2,1H3/q+2