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

Systemtic Name: N-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzenesulfonamide Openeye Name: N-[[(1S)-2-allyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzenesulfonamide CAS Name: N-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzenesulfonamide IUPAC Name: N-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzenesulfonamide Traditional Name: N-[[(1S)-2-allyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzenesulfonamide Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-4-11-23-12-10-16-13-20(26-2)21(27-3)14-18(16)19(23)15-22-28(24,25)17-8-6-5-7-9-17/h4-9,13-14,19,22H,1,10-12,15H2,2-3H3/p+1/t19-/m1/s1