2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]sulfanylethanol

Systemtic Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]sulfanylethanol Openeye Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]sulfanylethanol CAS Name: 2-[[5-(4-methyl-1-piperazin-4-iumyl)-2-nitrophenyl]thio]ethanol IUPAC Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitrophenyl]sulfanylethanol Traditional Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]thio]ethanol Formula: C13H20N3O3S+ MolecularWeight: 298.3812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3S/c1-14-4-6-15(7-5-14)11-2-3-12(16(18)19)13(10-11)20-9-8-17/h2-3,10,17H,4-9H2,1H3/p+1