(2,7-dimethoxy-8-methyl-9,10-dihydrophenanthren-3-yl)methyl-dimethyl-(phenylsulfanylmethyl)azanium bromide

Systemtic Name: (2,7-dimethoxy-8-methyl-9,10-dihydrophenanthren-3-yl)methyl-dimethyl-(phenylsulfanylmethyl)azanium bromide Openeye Name: (2,7-dimethoxy-8-methyl-9,10-dihydrophenanthren-3-yl)methyl-dimethyl-(phenylsulfanylmethyl)ammonium bromide CAS Name: (2,7-dimethoxy-8-methyl-9,10-dihydrophenanthren-3-yl)methyl-dimethyl-[(phenylthio)methyl]ammonium bromide IUPAC Name: (2,7-dimethoxy-8-methyl-9,10-dihydrophenanthren-3-yl)methyl-dimethyl-(phenylsulfanylmethyl)azanium bromide Traditional Name: (2,7-dimethoxy-8-methyl-9,10-dihydrophenanthren-3-yl)methyl-dimethyl-[(phenylthio)methyl]ammonium bromide Formula: C27H32BrNO2S MolecularWeight: 514.51748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1CCC3=CC(=C(C=C32)C[N+](C)(C)CSC4=CC=CC=C4)OC)OC.[Br-]

Isomeric SMILES

CC1=C(C=CC2=C1CCC3=CC(=C(C=C32)C[N+](C)(C)CSC4=CC=CC=C4)OC)OC.[Br-]

InChI

InChI=1S/C27H32NO2S.BrH/c1-19-23-12-11-20-16-27(30-5)21(15-25(20)24(23)13-14-26(19)29-4)17-28(2,3)18-31-22-9-7-6-8-10-22;/h6-10,13-16H,11-12,17-18H2,1-5H3;1H/q+1;/p-1