[(2S)-5-methylhexan-2-yl]-[(1R)-1-(2-methylphenyl)ethyl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[(1R)-1-(2-methylphenyl)ethyl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(1R)-1-(o-tolyl)ethyl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[(1R)-1-(2-methylphenyl)ethyl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-[(1R)-1-(2-methylphenyl)ethyl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[(1R)-1-(o-tolyl)ethyl]ammonium Formula: C16H28N+ MolecularWeight: 234.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)[NH2+]C(C)CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H27N/c1-12(2)10-11-14(4)17-15(5)16-9-7-6-8-13(16)3/h6-9,12,14-15,17H,10-11H2,1-5H3/p+1/t14-,15+/m0/s1