[4-(2-azanyl-2-oxidanylidene-ethoxy)-2-bromanyl-5-ethoxy-phenyl]methyl-propyl-azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-2-bromanyl-5-ethoxy-phenyl]methyl-propyl-azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-2-bromo-5-ethoxy-phenyl]methyl-propyl-ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-2-bromo-5-ethoxyphenyl]methyl-propylammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-2-bromo-5-ethoxyphenyl]methyl-propylazanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-2-bromo-5-ethoxy-benzyl]-propyl-ammonium Formula: C14H22BrN2O3+ MolecularWeight: 346.24008

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC1=CC(=C(C=C1Br)OCC(=O)N)OCC

Isomeric SMILES

CCC[NH2+]CC1=CC(=C(C=C1Br)OCC(=O)N)OCC

InChI

InChI=1S/C14H21BrN2O3/c1-3-5-17-8-10-6-12(19-4-2)13(7-11(10)15)20-9-14(16)18/h6-7,17H,3-5,8-9H2,1-2H3,(H2,16,18)/p+1