[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl]-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2R)-1-amino-1-oxopropan-2-yl]-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylammonium IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl]-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium Traditional Name: [(1R)-2-amino-2-keto-1-methyl-ethyl]-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C13H19BrN3O2+ MolecularWeight: 329.21286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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