5-[4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]piperazin-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]piperazin-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]piperazin-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridin-1-iumyl]-1-piperazinyl]-8-nitroisoquinoline IUPAC Name: 5-[4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]piperazin-1-yl]-8-nitroisoquinoline Traditional Name: 5-[4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]piperazino]-8-nitro-isoquinoline Formula: C23H29N7O4S+2 MolecularWeight: 499.58586

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N7O4S/c1-26-8-14-29(15-9-26)35(33,34)18-2-5-23(25-16-18)28-12-10-27(11-13-28)21-3-4-22(30(31)32)20-17-24-7-6-19(20)21/h2-7,16-17H,8-15H2,1H3/p+2