[(2S)-heptan-2-yl]-[(1R)-1-(2-methylphenyl)ethyl]azanium

Systemtic Name: [(2S)-heptan-2-yl]-[(1R)-1-(2-methylphenyl)ethyl]azanium Openeye Name: [(1S)-1-methylhexyl]-[(1R)-1-(o-tolyl)ethyl]ammonium CAS Name: [(2S)-heptan-2-yl]-[(1R)-1-(2-methylphenyl)ethyl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-[(1R)-1-(2-methylphenyl)ethyl]azanium Traditional Name: [(1S)-1-methylhexyl]-[(1R)-1-(o-tolyl)ethyl]ammonium Formula: C16H28N+ MolecularWeight: 234.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]C(C)C1=CC=CC=C1C

Isomeric SMILES

CCCCC[C@H](C)[NH2+][C@H](C)C1=CC=CC=C1C

InChI

InChI=1S/C16H27N/c1-5-6-7-11-14(3)17-15(4)16-12-9-8-10-13(16)2/h8-10,12,14-15,17H,5-7,11H2,1-4H3/p+1/t14-,15+/m0/s1