(3-ethoxy-2-oxidanyl-phenyl)methyl-[(2S)-2-ethylhexyl]azanium

Systemtic Name: (3-ethoxy-2-oxidanyl-phenyl)methyl-[(2S)-2-ethylhexyl]azanium Openeye Name: (3-ethoxy-2-hydroxy-phenyl)methyl-[(2S)-2-ethylhexyl]ammonium CAS Name: (3-ethoxy-2-hydroxyphenyl)methyl-[(2S)-2-ethylhexyl]ammonium IUPAC Name: (3-ethoxy-2-hydroxyphenyl)methyl-[(2S)-2-ethylhexyl]azanium Traditional Name: (3-ethoxy-2-hydroxy-benzyl)-[(2S)-2-ethylhexyl]ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2/c1-4-7-9-14(5-2)12-18-13-15-10-8-11-16(17(15)19)20-6-3/h8,10-11,14,18-19H,4-7,9,12-13H2,1-3H3/p+1/t14-/m0/s1