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

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(2S)-octan-2-yl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(1S)-1-methylheptyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(2S)-octan-2-yl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(2S)-octan-2-yl]azanium Traditional Name: [(1S)-1-methylheptyl]-veratryl-ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2/c1-5-6-7-8-9-14(2)18-13-15-10-11-16(19-3)17(12-15)20-4/h10-12,14,18H,5-9,13H2,1-4H3/p+1/t14-/m0/s1