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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-methoxy-benzyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C15H22BrN2O4+ MolecularWeight: 374.25018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C[C@H]2CCCO2)Br)OCC(=O)N

InChI

InChI=1S/C15H21BrN2O4/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)/p+1/t11-/m1/s1