[(2S)-1-(2-methylbutan-2-ylamino)-1-oxidanylidene-propan-2-yl]-[(4-methylphenyl)methyl]azanium

Systemtic Name: [(2S)-1-(2-methylbutan-2-ylamino)-1-oxidanylidene-propan-2-yl]-[(4-methylphenyl)methyl]azanium Openeye Name: [(1S)-2-(1,1-dimethylpropylamino)-1-methyl-2-oxo-ethyl]-(p-tolylmethyl)ammonium CAS Name: [(2S)-1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(2S)-1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-[(4-methylphenyl)methyl]azanium Traditional Name: [(1S)-2-(tert-amylamino)-2-keto-1-methyl-ethyl]-(4-methylbenzyl)ammonium Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-6-16(4,5)18-15(19)13(3)17-11-14-9-7-12(2)8-10-14/h7-10,13,17H,6,11H2,1-5H3,(H,18,19)/p+1/t13-/m0/s1