3-[methyl-[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]amino]propylazanium

Systemtic Name: 3-[methyl-[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]amino]propylazanium Openeye Name: 3-[[(1S)-2-anilino-1-methyl-2-oxo-ethyl]-methyl-amino]propylammonium CAS Name: 3-[[(2S)-1-anilino-1-oxopropan-2-yl]-methylamino]propylammonium IUPAC Name: 3-[[(2S)-1-anilino-1-oxopropan-2-yl]-methylamino]propylazanium Traditional Name: 3-[[(1S)-2-anilino-2-keto-1-methyl-ethyl]-methyl-amino]propylammonium Formula: C13H22N3O+ MolecularWeight: 236.33328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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