[4-(2-azanyl-2-oxidanylidene-ethoxy)-2-bromanyl-5-ethoxy-phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-2-bromanyl-5-ethoxy-phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-2-bromo-5-ethoxy-phenyl]methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-2-bromo-5-ethoxyphenyl]methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-2-bromo-5-ethoxyphenyl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-2-bromo-5-ethoxy-benzyl]-[(1R)-1-methylolpropyl]ammonium Formula: C15H24BrN2O4+ MolecularWeight: 376.26606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=CC(=C(C=C1Br)OCC(=O)N)OCC

InChI

InChI=1S/C15H23BrN2O4/c1-3-11(8-19)18-7-10-5-13(21-4-2)14(6-12(10)16)22-9-15(17)20/h5-6,11,18-19H,3-4,7-9H2,1-2H3,(H2,17,20)/p+1/t11-/m1/s1