3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-phenoxyphenyl)propanamide

Systemtic Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-phenoxyphenyl)propanamide Openeye Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-phenoxyphenyl)propanamide CAS Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-phenoxyphenyl)propanamide IUPAC Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-phenoxyphenyl)propanamide Traditional Name: 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-phenoxyphenyl)propionamide Formula: C26H29N2O4+ MolecularWeight: 433.51946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4)OC

InChI

InChI=1S/C26H28N2O4/c1-30-24-16-19-12-14-28(18-20(19)17-25(24)31-2)15-13-26(29)27-22-10-6-7-11-23(22)32-21-8-4-3-5-9-21/h3-11,16-17H,12-15,18H2,1-2H3,(H,27,29)/p+1