[(2S)-6-methylheptan-2-yl]-[(1R)-1-(2-methylphenyl)ethyl]azanium

Systemtic Name: [(2S)-6-methylheptan-2-yl]-[(1R)-1-(2-methylphenyl)ethyl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-[(1R)-1-(o-tolyl)ethyl]ammonium CAS Name: [(2S)-6-methylheptan-2-yl]-[(1R)-1-(2-methylphenyl)ethyl]ammonium IUPAC Name: [(2S)-6-methylheptan-2-yl]-[(1R)-1-(2-methylphenyl)ethyl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-[(1R)-1-(o-tolyl)ethyl]ammonium Formula: C17H30N+ MolecularWeight: 248.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N/c1-13(2)9-8-11-15(4)18-16(5)17-12-7-6-10-14(17)3/h6-7,10,12-13,15-16,18H,8-9,11H2,1-5H3/p+1/t15-,16+/m0/s1