2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-(1H-pyrrol-2-yl)ethanone Formula: C21H23N2O3S+ MolecularWeight: 383.48392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC(=O)C3=CC=CN3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC(=O)C3=CC=CN3)C4=CC=CS4)OC

InChI

InChI=1S/C21H22N2O3S/c1-25-18-11-14-7-9-23(13-17(24)16-5-3-8-22-16)21(20-6-4-10-27-20)15(14)12-19(18)26-2/h3-6,8,10-12,21-22H,7,9,13H2,1-2H3/p+1/t21-/m0/s1