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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-5-15(6-2)18-16(19)13(4)17-12(3)14-10-8-7-9-11-14/h7-13,15,17H,5-6H2,1-4H3,(H,18,19)/p+1/t12-,13+/m1/s1