(1S)-6,7-dimethoxy-2-(pyridin-3-ylmethyl)-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6,7-dimethoxy-2-(pyridin-3-ylmethyl)-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-dimethoxy-2-(3-pyridylmethyl)-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-dimethoxy-2-(3-pyridinylmethyl)-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-dimethoxy-2-(pyridin-3-ylmethyl)-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-dimethoxy-2-(3-pyridylmethyl)-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H23N2O2S+ MolecularWeight: 367.48452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC3=CN=CC=C3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC3=CN=CC=C3)C4=CC=CS4)OC

InChI

InChI=1S/C21H22N2O2S/c1-24-18-11-16-7-9-23(14-15-5-3-8-22-13-15)21(20-6-4-10-26-20)17(16)12-19(18)25-2/h3-6,8,10-13,21H,7,9,14H2,1-2H3/p+1/t21-/m0/s1