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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN(C)C1=CC=CC=C1)[NH3+]

Isomeric SMILES

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

InChI

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