(3-methoxy-4-oxidanyl-phenyl)methyl-[(2R)-6-methylheptan-2-yl]azanium

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl-[(2R)-6-methylheptan-2-yl]azanium Openeye Name: [(1R)-1,5-dimethylhexyl]-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-[(2R)-6-methylheptan-2-yl]ammonium IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-[(2R)-6-methylheptan-2-yl]azanium Traditional Name: [(1R)-1,5-dimethylhexyl]-vanillyl-ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2/c1-12(2)6-5-7-13(3)17-11-14-8-9-15(18)16(10-14)19-4/h8-10,12-13,17-18H,5-7,11H2,1-4H3/p+1/t13-/m1/s1