trimethyl-[4-[4-[5-oxidanyl-5-phenyl-4-(trimethylazaniumyl)cyclohexa-1,3-dien-1-yl]butyl]phenyl]azanium

Systemtic Name: trimethyl-[4-[4-[5-oxidanyl-5-phenyl-4-(trimethylazaniumyl)cyclohexa-1,3-dien-1-yl]butyl]phenyl]azanium Openeye Name: [4-[4-[5-hydroxy-5-phenyl-4-(trimethylammonio)cyclohexa-1,3-dien-1-yl]butyl]phenyl]-trimethyl-ammonium CAS Name: [4-[4-[5-hydroxy-5-phenyl-4-(trimethylammonio)-1-cyclohexa-1,3-dienyl]butyl]phenyl]-trimethylammonium IUPAC Name: [4-[4-[5-hydroxy-5-phenyl-4-(trimethylazaniumyl)cyclohexa-1,3-dien-1-yl]butyl]phenyl]-trimethylazanium Traditional Name: [4-[4-[5-hydroxy-5-phenyl-4-(trimethylammonio)cyclohexa-1,3-dien-1-yl]butyl]phenyl]-trimethyl-ammonium Formula: C28H40N2O+2 MolecularWeight: 420.63

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CCCCC2=CC=C(C(C2)(C3=CC=CC=C3)O)[N+](C)(C)C

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CCCCC2=CC=C(C(C2)(C3=CC=CC=C3)O)[N+](C)(C)C

InChI

InChI=1S/C28H40N2O/c1-29(2,3)26-19-16-23(17-20-26)12-10-11-13-24-18-21-27(30(4,5)6)28(31,22-24)25-14-8-7-9-15-25/h7-9,14-21,31H,10-13,22H2,1-6H3/q+2