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

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: [(2R)-1-amino-1-oxopropan-2-yl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: [(1R)-2-amino-2-keto-1-methyl-ethyl]-methyl-[4-(methylcarbamoyl)benzyl]ammonium Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2/c1-9(12(14)17)16(3)8-10-4-6-11(7-5-10)13(18)15-2/h4-7,9H,8H2,1-3H3,(H2,14,17)(H,15,18)/p+1/t9-/m1/s1