(2-methoxy-9,10-dihydrophenanthren-3-yl)methyl-dimethyl-(phenylsulfanylmethyl)azanium bromide

Systemtic Name: (2-methoxy-9,10-dihydrophenanthren-3-yl)methyl-dimethyl-(phenylsulfanylmethyl)azanium bromide Openeye Name: (2-methoxy-9,10-dihydrophenanthren-3-yl)methyl-dimethyl-(phenylsulfanylmethyl)ammonium bromide CAS Name: (2-methoxy-9,10-dihydrophenanthren-3-yl)methyl-dimethyl-[(phenylthio)methyl]ammonium bromide IUPAC Name: (2-methoxy-9,10-dihydrophenanthren-3-yl)methyl-dimethyl-(phenylsulfanylmethyl)azanium bromide Traditional Name: (2-methoxy-9,10-dihydrophenanthren-3-yl)methyl-dimethyl-[(phenylthio)methyl]ammonium bromide Formula: C25H28BrNOS MolecularWeight: 470.46492

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=C(C=C2CCC3=CC=CC=C3C2=C1)OC)CSC4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+](C)(CC1=C(C=C2CCC3=CC=CC=C3C2=C1)OC)CSC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H28NOS.BrH/c1-26(2,18-28-22-10-5-4-6-11-22)17-21-15-24-20(16-25(21)27-3)14-13-19-9-7-8-12-23(19)24;/h4-12,15-16H,13-14,17-18H2,1-3H3;1H/q+1;/p-1