[(2S)-2-ethylhexyl]-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]ammonium Formula: C18H32NO2+ MolecularWeight: 294.45218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC(COC1=CC=C(C=C1)C)O

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]C[C@H](COC1=CC=C(C=C1)C)O

InChI

InChI=1S/C18H31NO2/c1-4-6-7-16(5-2)12-19-13-17(20)14-21-18-10-8-15(3)9-11-18/h8-11,16-17,19-20H,4-7,12-14H2,1-3H3/p+1/t16-,17+/m0/s1