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

Systemtic Name: 2-[4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[3-(methylamino)-4-nitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[3-(methylamino)-4-nitrophenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Formula: C13H21N4O3+ MolecularWeight: 281.33084

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N2CC[NH+](CC2)CCO)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)N2CC[NH+](CC2)CCO)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O3/c1-14-12-10-11(2-3-13(12)17(19)20)16-6-4-15(5-7-16)8-9-18/h2-3,10,14,18H,4-9H2,1H3/p+1