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

Systemtic Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(2-methyl-6-propan-2-yl-phenyl)ethanamide Openeye Name: 2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(2-isopropyl-6-methyl-phenyl)acetamide CAS Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide IUPAC Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide Traditional Name: 2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(2-isopropyl-6-methyl-phenyl)acetamide Formula: C27H33N2O3S+ MolecularWeight: 465.62752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCC3=CC(=C(C=C3[C@H]2C4=CC=CS4)OC)OC

InChI

InChI=1S/C27H32N2O3S/c1-17(2)20-9-6-8-18(3)26(20)28-25(30)16-29-12-11-19-14-22(31-4)23(32-5)15-21(19)27(29)24-10-7-13-33-24/h6-10,13-15,17,27H,11-12,16H2,1-5H3,(H,28,30)/p+1/t27-/m0/s1