1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-one

Systemtic Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-one Openeye Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-one CAS Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridinone IUPAC Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one Traditional Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-pyrrolidinosulfonyl-2-pyridone Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CN3C=C(C=CC3=O)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CN3C=C(C=CC3=O)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C21H27N3O5S/c1-28-19-11-16-7-10-22(13-17(16)12-20(19)29-2)15-23-14-18(5-6-21(23)25)30(26,27)24-8-3-4-9-24/h5-6,11-12,14H,3-4,7-10,13,15H2,1-2H3/p+1