(3,4-dimethoxyphenyl)methyl-[(2R)-5-methylhexan-2-yl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(2R)-5-methylhexan-2-yl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(1R)-1,4-dimethylpentyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(2R)-5-methylhexan-2-yl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(2R)-5-methylhexan-2-yl]azanium Traditional Name: [(1R)-1,4-dimethylpentyl]-veratryl-ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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