N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-fluoranyl-benzamide Openeye Name: N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-fluoro-benzamide CAS Name: N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-fluorobenzamide IUPAC Name: N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-fluorobenzamide Traditional Name: N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-fluoro-benzamide Formula: C21H26FN2O3+ MolecularWeight: 373.441143

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=CC(=C(C=C2C1CNC(=O)C3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

CC[NH+]1CCC2=CC(=C(C=C2[C@@H]1CNC(=O)C3=CC=C(C=C3)F)OC)OC

InChI

InChI=1S/C21H25FN2O3/c1-4-24-10-9-15-11-19(26-2)20(27-3)12-17(15)18(24)13-23-21(25)14-5-7-16(22)8-6-14/h5-8,11-12,18H,4,9-10,13H2,1-3H3,(H,23,25)/p+1/t18-/m0/s1