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

Systemtic Name: 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]benzamide CAS Name: N-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzamide IUPAC Name: 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]benzamide Formula: C22H27N2O3+ MolecularWeight: 367.46138

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-4-11-24-12-10-17-13-20(26-2)21(27-3)14-18(17)19(24)15-23-22(25)16-8-6-5-7-9-16/h4-9,13-14,19H,1,10-12,15H2,2-3H3,(H,23,25)/p+1/t19-/m1/s1