[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[3-[methyl(phenyl)amino]propyl]azanium

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[3-[methyl(phenyl)amino]propyl]azanium Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl]-[3-(N-methylanilino)propyl]ammonium CAS Name: [(2S)-1-amino-1-oxopropan-2-yl]-[3-(N-methylanilino)propyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl]-[3-(N-methylanilino)propyl]azanium Traditional Name: [(1S)-2-amino-2-keto-1-methyl-ethyl]-[3-(N-methylanilino)propyl]ammonium Formula: C13H22N3O+ MolecularWeight: 236.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[NH2+]CCCN(C)C1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)N)[NH2+]CCCN(C)C1=CC=CC=C1

InChI

InChI=1S/C13H21N3O/c1-11(13(14)17)15-9-6-10-16(2)12-7-4-3-5-8-12/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H2,14,17)/p+1/t11-/m0/s1