N-(4-acetamidophenyl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Formula: C27H30N3O4+ MolecularWeight: 460.5448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2C4=CC=CC=C4)OC)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+]2CCC3=CC(=C(C=C3[C@H]2C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H29N3O4/c1-18(31)28-21-9-11-22(12-10-21)29-26(32)17-30-14-13-20-15-24(33-2)25(34-3)16-23(20)27(30)19-7-5-4-6-8-19/h4-12,15-16,27H,13-14,17H2,1-3H3,(H,28,31)(H,29,32)/p+1/t27-/m1/s1