6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C20H28N3O4S+ MolecularWeight: 406.51902

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C20H27N3O4S/c1-5-23(6-2)28(24,25)17-7-8-20(21-13-17)22-10-9-15-11-18(26-3)19(27-4)12-16(15)14-22/h7-8,11-13H,5-6,9-10,14H2,1-4H3/p+1