(4-methylphenyl)methyl-[(2S)-1-oxidanylidene-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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