3-[4-[3-oxidanidyl-5-(trimethylazaniumyl)phenoxy]butoxy]-5-(trimethylazaniumyl)phenolate

Systemtic Name: 3-[4-[3-oxidanidyl-5-(trimethylazaniumyl)phenoxy]butoxy]-5-(trimethylazaniumyl)phenolate Openeye Name: 3-[4-[3-oxido-5-(trimethylammonio)phenoxy]butoxy]-5-(trimethylammonio)phenolate CAS Name: 3-[4-[3-oxido-5-(trimethylammonio)phenoxy]butoxy]-5-(trimethylammonio)phenolate IUPAC Name: 3-[4-[3-oxido-5-(trimethylazaniumyl)phenoxy]butoxy]-5-(trimethylazaniumyl)phenolate Traditional Name: 3-[4-[3-oxido-5-(trimethylammonio)phenoxy]butoxy]-5-(trimethylammonio)phenolate Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC(=CC(=C1)OCCCCOC2=CC(=CC(=C2)[O-])[N+](C)(C)C)[O-]

Isomeric SMILES

C[N+](C)(C)C1=CC(=CC(=C1)OCCCCOC2=CC(=CC(=C2)[O-])[N+](C)(C)C)[O-]

InChI

InChI=1S/C22H32N2O4/c1-23(2,3)17-11-19(25)15-21(13-17)27-9-7-8-10-28-22-14-18(24(4,5)6)12-20(26)16-22/h11-16H,7-10H2,1-6H3