[(2S)-butan-2-yl]-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azanium Openeye Name: [2-(benzylamino)-2-oxo-ethyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[2-oxo-2-[(phenylmethyl)amino]ethyl]ammonium IUPAC Name: [2-(benzylamino)-2-oxoethyl]-[(2S)-butan-2-yl]azanium Traditional Name: [2-(benzylamino)-2-keto-ethyl]-[(1S)-1-methylpropyl]ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)[NH2+]CC(=O)NCC1=CC=CC=C1

InChI

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