[(2S)-2-ethylhexyl]-[(3-methylphenyl)methyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(3-methylphenyl)methyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-(m-tolylmethyl)ammonium CAS Name: [(2S)-2-ethylhexyl]-[(3-methylphenyl)methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(3-methylphenyl)methyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-(3-methylbenzyl)ammonium Formula: C16H28N+ MolecularWeight: 234.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N/c1-4-6-9-15(5-2)12-17-13-16-10-7-8-14(3)11-16/h7-8,10-11,15,17H,4-6,9,12-13H2,1-3H3/p+1/t15-/m0/s1