(3,4-dimethoxyphenyl)methyl-[(1S)-1-thiophen-2-ylpropyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(1S)-1-thiophen-2-ylpropyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(1S)-1-(2-thienyl)propyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(1S)-1-thiophen-2-ylpropyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(1S)-1-thiophen-2-ylpropyl]azanium Traditional Name: [(1S)-1-(2-thienyl)propyl]-veratryl-ammonium Formula: C16H22NO2S+ MolecularWeight: 292.41638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CS1)[NH2+]CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC[C@@H](C1=CC=CS1)[NH2+]CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H21NO2S/c1-4-13(16-6-5-9-20-16)17-11-12-7-8-14(18-2)15(10-12)19-3/h5-10,13,17H,4,11H2,1-3H3/p+1/t13-/m0/s1