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

Systemtic Name: 3-chloranyl-N-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzamide Openeye Name: N-[[(1S)-2-allyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-3-chloro-benzamide CAS Name: 3-chloro-N-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzamide IUPAC Name: 3-chloro-N-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzamide Traditional Name: N-[[(1S)-2-allyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-3-chloro-benzamide Formula: C22H26ClN2O3+ MolecularWeight: 401.90644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O3/c1-4-9-25-10-8-15-12-20(27-2)21(28-3)13-18(15)19(25)14-24-22(26)16-6-5-7-17(23)11-16/h4-7,11-13,19H,1,8-10,14H2,2-3H3,(H,24,26)/p+1/t19-/m1/s1