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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-2-bromanyl-5-methoxy-phenyl]methyl-propyl-azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-2-bromo-5-methoxy-phenyl]methyl-propyl-ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-2-bromo-5-methoxyphenyl]methyl-propylammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-2-bromo-5-methoxyphenyl]methyl-propylazanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-2-bromo-5-methoxy-benzyl]-propyl-ammonium Formula: C13H20BrN2O3+ MolecularWeight: 332.2135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN2O3/c1-3-4-16-7-9-5-11(18-2)12(6-10(9)14)19-8-13(15)17/h5-6,16H,3-4,7-8H2,1-2H3,(H2,15,17)/p+1