6,7-dimethoxy-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline Formula: C21H30N4O4S+2 MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C21H28N4O4S/c1-23-8-10-25(11-9-23)30(26,27)18-4-5-21(22-14-18)24-7-6-16-12-19(28-2)20(29-3)13-17(16)15-24/h4-5,12-14H,6-11,15H2,1-3H3/p+2