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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-12(2)10-11-17-16(19)14(4)18-13(3)15-8-6-5-7-9-15/h5-9,12-14,18H,10-11H2,1-4H3,(H,17,19)/p+1/t13-,14+/m1/s1