(1-azanyl-2-naphthalen-1-yl-ethylidene)-[2-(4-bromanyl-3,5-dimethyl-phenoxy)ethanoyloxy]azanium

Systemtic Name: (1-azanyl-2-naphthalen-1-yl-ethylidene)-[2-(4-bromanyl-3,5-dimethyl-phenoxy)ethanoyloxy]azanium Openeye Name: [1-amino-2-(1-naphthyl)ethylidene]-[2-(4-bromo-3,5-dimethyl-phenoxy)acetyl]oxy-ammonium CAS Name: [1-amino-2-(1-naphthalenyl)ethylidene]-[2-(4-bromo-3,5-dimethylphenoxy)-1-oxoethoxy]ammonium IUPAC Name: (1-amino-2-naphthalen-1-ylethylidene)-[2-(4-bromo-3,5-dimethylphenoxy)acetyl]oxyazanium Traditional Name: [1-amino-2-(1-naphthyl)ethylidene]-[2-(4-bromo-3,5-dimethyl-phenoxy)acetyl]oxy-ammonium Formula: C22H22BrN2O3+ MolecularWeight: 442.32568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)OCC(=O)O[NH+]=C(CC2=CC=CC3=CC=CC=C32)N

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)OCC(=O)O[NH+]=C(CC2=CC=CC3=CC=CC=C32)N

InChI

InChI=1S/C22H21BrN2O3/c1-14-10-18(11-15(2)22(14)23)27-13-21(26)28-25-20(24)12-17-8-5-7-16-6-3-4-9-19(16)17/h3-11H,12-13H2,1-2H3,(H2,24,25)/p+1