[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methyl-(2,4,4-trimethylpentan-2-yl)azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methyl-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-ethoxy-phenyl]methyl-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-ethoxy-benzyl]-(1,1,3,3-tetramethylbutyl)ammonium Formula: C19H32BrN2O3+ MolecularWeight: 416.37298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)(C)CC(C)(C)C)Br)OCC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)(C)CC(C)(C)C)Br)OCC(=O)N

InChI

InChI=1S/C19H31BrN2O3/c1-7-24-15-9-13(8-14(20)17(15)25-11-16(21)23)10-22-19(5,6)12-18(2,3)4/h8-9,22H,7,10-12H2,1-6H3,(H2,21,23)/p+1