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

Systemtic Name: [(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-1-methyl-2-oxo-2-(pentylamino)ethyl]ammonium CAS Name: [(2S)-1-oxo-1-(pentylamino)propan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]azanium Traditional Name: [(1S)-2-(amylamino)-2-keto-1-methyl-ethyl]-benzyl-ammonium Formula: C15H25N2O+ MolecularWeight: 249.3718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O/c1-3-4-8-11-16-15(18)13(2)17-12-14-9-6-5-7-10-14/h5-7,9-10,13,17H,3-4,8,11-12H2,1-2H3,(H,16,18)/p+1/t13-/m0/s1