[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]methyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-(1-hydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-methoxy-benzyl]-(2-hydroxy-1,1-dimethyl-ethyl)ammonium Formula: C14H22BrN2O4+ MolecularWeight: 362.23948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)[NH2+]CC1=CC(=C(C(=C1)Br)OCC(=O)N)OC

Isomeric SMILES

CC(C)(CO)[NH2+]CC1=CC(=C(C(=C1)Br)OCC(=O)N)OC

InChI

InChI=1S/C14H21BrN2O4/c1-14(2,8-18)17-6-9-4-10(15)13(11(5-9)20-3)21-7-12(16)19/h4-5,17-18H,6-8H2,1-3H3,(H2,16,19)/p+1