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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Formula: C24H30N3O3S+ MolecularWeight: 440.5783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC(=O)NC3(CCCCC3)C#N)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC(=O)NC3(CCCCC3)C#N)C4=CC=CS4)OC

InChI

InChI=1S/C24H29N3O3S/c1-29-19-13-17-8-11-27(15-22(28)26-24(16-25)9-4-3-5-10-24)23(21-7-6-12-31-21)18(17)14-20(19)30-2/h6-7,12-14,23H,3-5,8-11,15H2,1-2H3,(H,26,28)/p+1/t23-/m0/s1