N-[2-[4-[bis(fluoranyl)methoxy]phenyl]ethyl]-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[2-[4-[bis(fluoranyl)methoxy]phenyl]ethyl]-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C22H27F2N2O4+ MolecularWeight: 421.457586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NCCC3=CC=C(C=C3)OC(F)F)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NCCC3=CC=C(C=C3)OC(F)F)OC

InChI

InChI=1S/C22H26F2N2O4/c1-28-19-11-16-8-10-26(13-17(16)12-20(19)29-2)14-21(27)25-9-7-15-3-5-18(6-4-15)30-22(23)24/h3-6,11-12,22H,7-10,13-14H2,1-2H3,(H,25,27)/p+1