[(2S)-2-ethylhexyl]-[(1R)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(1R)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-hydroxy-4-methyl-phenyl)ethyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-hydroxy-4-methylphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-hydroxy-4-methylphenyl)ethyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-hydroxy-4-methyl-phenyl)ethyl]ammonium Formula: C17H30NO+ MolecularWeight: 264.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO/c1-5-7-8-15(6-2)12-18-14(4)16-10-9-13(3)11-17(16)19/h9-11,14-15,18-19H,5-8,12H2,1-4H3/p+1/t14-,15+/m1/s1