[(2S)-1-[[3-(azaniumylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[[3-(azaniumylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-2-[3-(azaniumylmethyl)anilino]-1-methyl-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[3-(ammoniomethyl)anilino]-1-oxopropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[3-(azaniumylmethyl)anilino]-1-oxopropan-2-yl]-dimethylazanium Traditional Name: [(1S)-2-[3-(ammoniomethyl)anilino]-2-keto-1-methyl-ethyl]-dimethyl-ammonium Formula: C12H21N3O+2 MolecularWeight: 223.31464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C[NH3+])[NH+](C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C[NH3+])[NH+](C)C

InChI

InChI=1S/C12H19N3O/c1-9(15(2)3)12(16)14-11-6-4-5-10(7-11)8-13/h4-7,9H,8,13H2,1-3H3,(H,14,16)/p+2/t9-/m0/s1