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

Systemtic Name: [(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]azanium Traditional Name: benzyl-[(1S)-2-(isoamylamino)-2-keto-1-methyl-ethyl]ammonium Formula: C15H25N2O+ MolecularWeight: 249.3718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O/c1-12(2)9-10-16-15(18)13(3)17-11-14-7-5-4-6-8-14/h4-8,12-13,17H,9-11H2,1-3H3,(H,16,18)/p+1/t13-/m0/s1