[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]-phenethyl-azanium

Systemtic Name: [(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]-phenethyl-azanium Openeye Name: [(1S)-2-(butylamino)-1-methyl-2-oxo-ethyl]-phenethyl-ammonium CAS Name: [(2S)-1-(butylamino)-1-oxopropan-2-yl]-phenethylammonium IUPAC Name: [(2S)-1-(butylamino)-1-oxopropan-2-yl]-phenethylazanium Traditional Name: [(1S)-2-(butylamino)-2-keto-1-methyl-ethyl]-phenethyl-ammonium Formula: C15H25N2O+ MolecularWeight: 249.3718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)[NH2+]CCC1=CC=CC=C1

Isomeric SMILES

CCCCNC(=O)[C@H](C)[NH2+]CCC1=CC=CC=C1

InChI

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