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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-(furan-2-ylmethyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]methyl-(2-furylmethyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-(2-furanylmethyl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-methoxy-benzyl]-(2-furfuryl)ammonium Formula: C15H18BrN2O4+ MolecularWeight: 370.21842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CO2)Br)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CO2)Br)OCC(=O)N

InChI

InChI=1S/C15H17BrN2O4/c1-20-13-6-10(7-18-8-11-3-2-4-21-11)5-12(16)15(13)22-9-14(17)19/h2-6,18H,7-9H2,1H3,(H2,17,19)/p+1