[(1R)-1-(3-acetamidophenyl)ethyl]-[(2S)-2-ethylhexyl]azanium

Systemtic Name: [(1R)-1-(3-acetamidophenyl)ethyl]-[(2S)-2-ethylhexyl]azanium Openeye Name: [(1R)-1-(3-acetamidophenyl)ethyl]-[(2S)-2-ethylhexyl]ammonium CAS Name: [(1R)-1-(3-acetamidophenyl)ethyl]-[(2S)-2-ethylhexyl]ammonium IUPAC Name: [(1R)-1-(3-acetamidophenyl)ethyl]-[(2S)-2-ethylhexyl]azanium Traditional Name: [(1R)-1-(3-acetamidophenyl)ethyl]-[(2S)-2-ethylhexyl]ammonium Formula: C18H31N2O+ MolecularWeight: 291.45154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]C(C)C1=CC(=CC=C1)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O/c1-5-7-9-16(6-2)13-19-14(3)17-10-8-11-18(12-17)20-15(4)21/h8,10-12,14,16,19H,5-7,9,13H2,1-4H3,(H,20,21)/p+1/t14-,16+/m1/s1