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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methyl-(furan-2-ylmethyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-ethoxy-phenyl]methyl-(2-furylmethyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-(2-furanylmethyl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methyl-(furan-2-ylmethyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-ethoxy-benzyl]-(2-furfuryl)ammonium Formula: C16H20BrN2O4+ MolecularWeight: 384.245

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CO2)Br)OCC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CO2)Br)OCC(=O)N

InChI

InChI=1S/C16H19BrN2O4/c1-2-21-14-7-11(8-19-9-12-4-3-5-22-12)6-13(17)16(14)23-10-15(18)20/h3-7,19H,2,8-10H2,1H3,(H2,18,20)/p+1