N-(1-cyanocyclopentyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC(=O)NC3(CCCC3)C#N)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC(=O)NC3(CCCC3)C#N)C4=CC=CS4)OC

InChI

InChI=1S/C23H27N3O3S/c1-28-18-12-16-7-10-26(14-21(27)25-23(15-24)8-3-4-9-23)22(20-6-5-11-30-20)17(16)13-19(18)29-2/h5-6,11-13,22H,3-4,7-10,14H2,1-2H3,(H,25,27)/p+1/t22-/m0/s1