6,7-dimethoxy-2-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-(5-piperidinosulfonylpyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCCC4)OC

InChI

InChI=1S/C21H27N3O4S/c1-27-19-12-16-8-11-23(15-17(16)13-20(19)28-2)21-7-6-18(14-22-21)29(25,26)24-9-4-3-5-10-24/h6-7,12-14H,3-5,8-11,15H2,1-2H3/p+1