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

Systemtic Name: [5-(4-bromophenyl)furan-2-yl]methyl-methyl-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]azanium Openeye Name: [5-(4-bromophenyl)-2-furyl]methyl-[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [5-(4-bromophenyl)-2-furanyl]methyl-methyl-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]ammonium IUPAC Name: [5-(4-bromophenyl)furan-2-yl]methyl-methyl-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium Traditional Name: [5-(4-bromophenyl)-2-furyl]methyl-[(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C18H24BrN2O2+ MolecularWeight: 380.29936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O2/c1-12(2)20-18(22)13(3)21(4)11-16-9-10-17(23-16)14-5-7-15(19)8-6-14/h5-10,12-13H,11H2,1-4H3,(H,20,22)/p+1/t13-/m0/s1