(3,4-dimethoxyphenyl)methyl-[(2S)-heptan-2-yl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(2S)-heptan-2-yl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(1S)-1-methylhexyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(2S)-heptan-2-yl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(2S)-heptan-2-yl]azanium Traditional Name: [(1S)-1-methylhexyl]-veratryl-ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2/c1-5-6-7-8-13(2)17-12-14-9-10-15(18-3)16(11-14)19-4/h9-11,13,17H,5-8,12H2,1-4H3/p+1/t13-/m0/s1