[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-(phenylmethyl)azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]ammonium CAS Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-1-oxo-1-(propylamino)propan-2-yl]azanium Traditional Name: benzyl-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)[NH2+]CC1=CC=CC=C1

Isomeric SMILES

CCCNC(=O)[C@H](C)[NH2+]CC1=CC=CC=C1

InChI

InChI=1S/C13H20N2O/c1-3-9-14-13(16)11(2)15-10-12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3,(H,14,16)/p+1/t11-/m0/s1