(4-bromophenyl)methyl-methyl-[(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium Traditional Name: (4-bromobenzyl)-[(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl]-methyl-ammonium Formula: C13H19BrN3O2+ MolecularWeight: 329.21286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)[NH+](C)CC1=CC=C(C=C1)Br

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC)[NH+](C)CC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H18BrN3O2/c1-9(12(18)16-13(19)15-2)17(3)8-10-4-6-11(14)7-5-10/h4-7,9H,8H2,1-3H3,(H2,15,16,18,19)/p+1/t9-/m1/s1