bis[[3-chloranyl-1-(2-oxidanyl-3-phenyl-naphthalen-1-yl)naphthalen-2-yl]methyl]-dimethyl-azanium

Systemtic Name: bis[[3-chloranyl-1-(2-oxidanyl-3-phenyl-naphthalen-1-yl)naphthalen-2-yl]methyl]-dimethyl-azanium Openeye Name: bis[[3-chloro-1-(2-hydroxy-3-phenyl-1-naphthyl)-2-naphthyl]methyl]-dimethyl-ammonium CAS Name: bis[[3-chloro-1-(2-hydroxy-3-phenyl-1-naphthalenyl)-2-naphthalenyl]methyl]-dimethylammonium IUPAC Name: bis[[3-chloro-1-(2-hydroxy-3-phenylnaphthalen-1-yl)naphthalen-2-yl]methyl]-dimethylazanium Traditional Name: bis[[3-chloro-1-(2-hydroxy-3-phenyl-1-naphthyl)-2-naphthyl]methyl]-dimethyl-ammonium Formula: C56H42Cl2NO2+ MolecularWeight: 831.84418

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=C(C2=CC=CC=C2C=C1Cl)C3=C(C(=CC4=CC=CC=C43)C5=CC=CC=C5)O)CC6=C(C7=CC=CC=C7C=C6Cl)C8=C(C(=CC9=CC=CC=C98)C1=CC=CC=C1)O

Isomeric SMILES

C[N+](C)(CC1=C(C2=CC=CC=C2C=C1Cl)C3=C(C(=CC4=CC=CC=C43)C5=CC=CC=C5)O)CC6=C(C7=CC=CC=C7C=C6Cl)C8=C(C(=CC9=CC=CC=C98)C1=CC=CC=C1)O

InChI

InChI=1S/C56H41Cl2NO2/c1-59(2,33-47-49(57)31-39-23-11-13-25-41(39)51(47)53-43-27-15-9-21-37(43)29-45(55(53)60)35-17-5-3-6-18-35)34-48-50(58)32-40-24-12-14-26-42(40)52(48)54-44-28-16-10-22-38(44)30-46(56(54)61)36-19-7-4-8-20-36/h3-32H,33-34H2,1-2H3,(H-,60,61)/p+1