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

Systemtic Name: [5-(4-bromophenyl)furan-2-yl]methyl-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [5-(4-bromophenyl)-2-furyl]methyl-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [5-(4-bromophenyl)-2-furanyl]methyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: [5-(4-bromophenyl)furan-2-yl]methyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: [5-(4-bromophenyl)-2-furyl]methyl-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C17H22BrN2O2+ MolecularWeight: 366.27278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O2/c1-4-19-17(21)12(2)20(3)11-15-9-10-16(22-15)13-5-7-14(18)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,19,21)/p+1/t12-/m0/s1