2-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Formula: C17H29N5O5S+2 MolecularWeight: 415.50766

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

InChI

InChI=1S/C17H27N5O5S/c1-18-4-10-21(11-5-18)28(26,27)15-2-3-16(17(14-15)22(24)25)20-8-6-19(7-9-20)12-13-23/h2-3,14,23H,4-13H2,1H3/p+2