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

Systemtic Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide CAS Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-prop-2-enylacetamide IUPAC Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC(=O)NCC=C)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC(=O)NCC=C)C3=CC=CS3)OC

InChI

InChI=1S/C20H24N2O3S/c1-4-8-21-19(23)13-22-9-7-14-11-16(24-2)17(25-3)12-15(14)20(22)18-6-5-10-26-18/h4-6,10-12,20H,1,7-9,13H2,2-3H3,(H,21,23)/p+1/t20-/m0/s1