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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-5-methylhexan-2-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R)-1,4-dimethylpentyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-5-methylhexan-2-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-5-methylhexan-2-yl]azanium Traditional Name: [(1R)-1,4-dimethylpentyl]-homoveratryl-ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]CCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

C[C@H](CCC(C)C)[NH2+]CCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C17H29NO2/c1-13(2)6-7-14(3)18-11-10-15-8-9-16(19-4)17(12-15)20-5/h8-9,12-14,18H,6-7,10-11H2,1-5H3/p+1/t14-/m1/s1