[(3S,5S)-5-methylheptan-3-yl]-[(4-methylphenyl)methyl]azanium

Systemtic Name: [(3S,5S)-5-methylheptan-3-yl]-[(4-methylphenyl)methyl]azanium Openeye Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-(p-tolylmethyl)ammonium CAS Name: [(3S,5S)-5-methylheptan-3-yl]-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(3S,5S)-5-methylheptan-3-yl]-[(4-methylphenyl)methyl]azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-(4-methylbenzyl)ammonium Formula: C16H28N+ MolecularWeight: 234.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N/c1-5-13(3)11-16(6-2)17-12-15-9-7-14(4)8-10-15/h7-10,13,16-17H,5-6,11-12H2,1-4H3/p+1/t13-,16-/m0/s1