[(2S)-2-ethylhexyl]-[(4-methoxy-3-oxidanyl-phenyl)methyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(4-methoxy-3-oxidanyl-phenyl)methyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(3-hydroxy-4-methoxy-phenyl)methyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(3-hydroxy-4-methoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(3-hydroxy-4-methoxyphenyl)methyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-(3-hydroxy-4-methoxy-benzyl)ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2/c1-4-6-7-13(5-2)11-17-12-14-8-9-16(19-3)15(18)10-14/h8-10,13,17-18H,4-7,11-12H2,1-3H3/p+1/t13-/m0/s1