6,7-dimethoxy-2-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H30N3O5S+ MolecularWeight: 424.5343

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C20H29N3O5S/c1-26-9-5-7-23-17(12-21-20(23)29(4,24)25)14-22-8-6-15-10-18(27-2)19(28-3)11-16(15)13-22/h10-12H,5-9,13-14H2,1-4H3/p+1