trimethyl-[[2-oxidanyl-5-[4-oxidanyl-3-[(trimethylazaniumyl)methyl]phenyl]carbonyl-phenyl]methyl]azanium

Systemtic Name: trimethyl-[[2-oxidanyl-5-[4-oxidanyl-3-[(trimethylazaniumyl)methyl]phenyl]carbonyl-phenyl]methyl]azanium Openeye Name: [2-hydroxy-5-[4-hydroxy-3-[(trimethylammonio)methyl]benzoyl]phenyl]methyl-trimethyl-ammonium CAS Name: [2-hydroxy-5-[[4-hydroxy-3-[(trimethylammonio)methyl]phenyl]-oxomethyl]phenyl]methyl-trimethylammonium IUPAC Name: [2-hydroxy-5-[4-hydroxy-3-[(trimethylazaniumyl)methyl]benzoyl]phenyl]methyl-trimethylazanium Traditional Name: [2-hydroxy-5-[4-hydroxy-3-[(trimethylammonio)methyl]benzoyl]benzyl]-trimethyl-ammonium Formula: C21H30N2O3+2 MolecularWeight: 358.4745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=C(C=CC(=C1)C(=O)C2=CC(=C(C=C2)O)C[N+](C)(C)C)O

Isomeric SMILES

C[N+](C)(C)CC1=C(C=CC(=C1)C(=O)C2=CC(=C(C=C2)O)C[N+](C)(C)C)O

InChI

InChI=1S/C21H28N2O3/c1-22(2,3)13-17-11-15(7-9-19(17)24)21(26)16-8-10-20(25)18(12-16)14-23(4,5)6/h7-12H,13-14H2,1-6H3/p+2