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

Systemtic Name: N-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-fluoranyl-benzamide Openeye Name: N-[[(1S)-2-allyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-fluoro-benzamide CAS Name: N-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-fluorobenzamide IUPAC Name: N-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-fluorobenzamide Traditional Name: N-[[(1S)-2-allyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-fluoro-benzamide Formula: C22H26FN2O3+ MolecularWeight: 385.451843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC=C)CNC(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H25FN2O3/c1-4-10-25-11-9-16-12-20(27-2)21(28-3)13-18(16)19(25)14-24-22(26)15-5-7-17(23)8-6-15/h4-8,12-13,19H,1,9-11,14H2,2-3H3,(H,24,26)/p+1/t19-/m1/s1