[(2S)-2-ethylhexyl]-[(1R)-1-(5-methoxy-2-oxidanyl-phenyl)ethyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(1R)-1-(5-methoxy-2-oxidanyl-phenyl)ethyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-hydroxy-5-methoxy-phenyl)ethyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-hydroxy-5-methoxy-phenyl)ethyl]ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2/c1-5-7-8-14(6-2)12-18-13(3)16-11-15(20-4)9-10-17(16)19/h9-11,13-14,18-19H,5-8,12H2,1-4H3/p+1/t13-,14+/m1/s1