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

Systemtic Name: N-(2-cyanophenyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide Openeye Name: N-(2-cyanophenyl)-2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide CAS Name: N-(2-cyanophenyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide IUPAC Name: N-(2-cyanophenyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Traditional Name: N-(2-cyanophenyl)-2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Formula: C24H24N3O3S+ MolecularWeight: 434.53066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC(=O)NC3=CC=CC=C3C#N)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC(=O)NC3=CC=CC=C3C#N)C4=CC=CS4)OC

InChI

InChI=1S/C24H23N3O3S/c1-29-20-12-16-9-10-27(15-23(28)26-19-7-4-3-6-17(19)14-25)24(22-8-5-11-31-22)18(16)13-21(20)30-2/h3-8,11-13,24H,9-10,15H2,1-2H3,(H,26,28)/p+1/t24-/m0/s1