[(2S)-2-ethylhexyl]-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(4-isopropylphenyl)methyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-(4-isopropylbenzyl)ammonium Formula: C18H32N+ MolecularWeight: 262.45338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N/c1-5-7-8-16(6-2)13-19-14-17-9-11-18(12-10-17)15(3)4/h9-12,15-16,19H,5-8,13-14H2,1-4H3/p+1/t16-/m0/s1