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

Systemtic Name: [(2S)-2-ethylhexyl]-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(4-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-vanillyl-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)O)OC

Isomeric SMILES

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

InChI

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