2-[4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[3-(4-methyl-1-piperazin-4-iumyl)-4-nitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitrophenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Formula: C17H29N5O3+2 MolecularWeight: 351.44386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N5O3/c1-18-4-8-21(9-5-18)17-14-15(2-3-16(17)22(24)25)20-10-6-19(7-11-20)12-13-23/h2-3,14,23H,4-13H2,1H3/p+2