N-(5-acetamido-2-methoxy-phenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C22H27N3O5/c1-14(26)23-17-5-6-19(28-2)18(11-17)24-22(27)13-25-8-7-15-9-20(29-3)21(30-4)10-16(15)12-25/h5-6,9-11H,7-8,12-13H2,1-4H3,(H,23,26)(H,24,27)/p+1