[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]-[(4-methylphenyl)methyl]azanium

Systemtic Name: [(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]-[(4-methylphenyl)methyl]azanium Openeye Name: [(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]-(p-tolylmethyl)ammonium CAS Name: [(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]-[(4-methylphenyl)methyl]azanium Traditional Name: [(1S)-2-(isoamylamino)-2-keto-1-methyl-ethyl]-(4-methylbenzyl)ammonium Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-12(2)9-10-17-16(19)14(4)18-11-15-7-5-13(3)6-8-15/h5-8,12,14,18H,9-11H2,1-4H3,(H,17,19)/p+1/t14-/m0/s1