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

Systemtic Name: N-[[(1R)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[[(1R)-2-allyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-methyl-benzenesulfonamide CAS Name: N-[[(1R)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[[(1R)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-methylbenzenesulfonamide Traditional Name: N-[[(1R)-2-allyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-4-methyl-benzenesulfonamide Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2C3=CC(=C(C=C3CC[NH+]2CC=C)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC[C@H]2C3=CC(=C(C=C3CC[NH+]2CC=C)OC)OC

InChI

InChI=1S/C22H28N2O4S/c1-5-11-24-12-10-17-13-21(27-3)22(28-4)14-19(17)20(24)15-23-29(25,26)18-8-6-16(2)7-9-18/h5-9,13-14,20,23H,1,10-12,15H2,2-4H3/p+1/t20-/m0/s1