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

Systemtic Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline Formula: C19H26N4O2S+2 MolecularWeight: 374.50034

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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=CC=C4C3

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O2S/c1-21-10-12-23(13-11-21)26(24,25)18-6-7-19(20-14-18)22-9-8-16-4-2-3-5-17(16)15-22/h2-7,14H,8-13,15H2,1H3/p+2