dimethyl-[[2-oxidanyl-5-[4-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenoxy]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-oxidanyl-5-[4-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenoxy]phenyl]methyl]azanium Openeye Name: [2-hydroxy-5-[4-[(3-hydroxy-3-oxo-propanoyl)amino]phenoxy]phenyl]methyl-dimethyl-ammonium CAS Name: [2-hydroxy-5-[4-[(3-hydroxy-1,3-dioxopropyl)amino]phenoxy]phenyl]methyl-dimethylammonium IUPAC Name: [2-hydroxy-5-[4-[(3-hydroxy-3-oxopropanoyl)amino]phenoxy]phenyl]methyl-dimethylazanium Traditional Name: [2-hydroxy-5-[4-[(3-hydroxy-3-keto-propanoyl)amino]phenoxy]benzyl]-dimethyl-ammonium Formula: C18H21N2O5+ MolecularWeight: 345.36974

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC(=C1)OC2=CC=C(C=C2)NC(=O)CC(=O)O)O

Isomeric SMILES

C[NH+](C)CC1=C(C=CC(=C1)OC2=CC=C(C=C2)NC(=O)CC(=O)O)O

InChI

InChI=1S/C18H20N2O5/c1-20(2)11-12-9-15(7-8-16(12)21)25-14-5-3-13(4-6-14)19-17(22)10-18(23)24/h3-9,21H,10-11H2,1-2H3,(H,19,22)(H,23,24)/p+1