[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]-phenethyl-azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]-phenethyl-azanium Openeye Name: [(1S)-2-(1-ethylpropylamino)-1-methyl-2-oxo-ethyl]-phenethyl-ammonium CAS Name: [(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]-phenethylammonium IUPAC Name: [(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]-phenethylazanium Traditional Name: [(1S)-2-(1-ethylpropylamino)-2-keto-1-methyl-ethyl]-phenethyl-ammonium Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-4-15(5-2)18-16(19)13(3)17-12-11-14-9-7-6-8-10-14/h6-10,13,15,17H,4-5,11-12H2,1-3H3,(H,18,19)/p+1/t13-/m0/s1