[(2S)-1-(3-methoxypropylamino)-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium

Systemtic Name: [(2S)-1-(3-methoxypropylamino)-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-2-(3-methoxypropylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(3-methoxypropylamino)-1-oxopropan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-1-(3-methoxypropylamino)-1-oxopropan-2-yl]azanium Traditional Name: benzyl-[(1S)-2-keto-2-(3-methoxypropylamino)-1-methyl-ethyl]ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2/c1-12(14(17)15-9-6-10-18-2)16-11-13-7-4-3-5-8-13/h3-5,7-8,12,16H,6,9-11H2,1-2H3,(H,15,17)/p+1/t12-/m0/s1