[5-(4-bromophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: [5-(4-bromophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [5-(4-bromophenyl)-2-furyl]methyl-[(1R)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [5-(4-bromophenyl)-2-furanyl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: [5-(4-bromophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: [5-(4-bromophenyl)-2-furyl]methyl-[(1R)-2-(carbomethoxyamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C17H20BrN2O4+ MolecularWeight: 396.2557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)OC)[NH+](C)CC1=CC=C(O1)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)[NH+](C)CC1=CC=C(O1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H19BrN2O4/c1-11(16(21)19-17(22)23-3)20(2)10-14-8-9-15(24-14)12-4-6-13(18)7-5-12/h4-9,11H,10H2,1-3H3,(H,19,21,22)/p+1/t11-/m1/s1