[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-(oxolan-2-ylmethyl)azanium chloride

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-(oxolan-2-ylmethyl)azanium chloride Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]methyl-(tetrahydrofuran-2-ylmethyl)ammonium chloride CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-(2-oxolanylmethyl)ammonium chloride IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-(oxolan-2-ylmethyl)azanium chloride Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-methoxy-benzyl]-(tetrahydrofurfuryl)ammonium chloride Formula: C15H22BrClN2O4 MolecularWeight: 409.70318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2CCCO2)Br)OCC(=O)N.[Cl-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2CCCO2)Br)OCC(=O)N.[Cl-]

InChI

InChI=1S/C15H21BrN2O4.ClH/c1-20-13-6-10(7-18-8-11-3-2-4-21-11)5-12(16)15(13)22-9-14(17)19;/h5-6,11,18H,2-4,7-9H2,1H3,(H2,17,19);1H