[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-[(2R)-5-methylhexan-2-yl]azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2/c1-12(2)7-8-13(3)18-14(4)15-9-10-16(19-5)17(11-15)20-6/h9-14,18H,7-8H2,1-6H3/p+1/t13-,14+/m1/s1