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

Systemtic Name: 2-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Formula: C17H23N4O4+ MolecularWeight: 347.38892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

InChI

InChI=1S/C17H22N4O4/c22-10-9-19-5-7-20(8-6-19)14-3-4-17(21(23)24)16(12-14)18-13-15-2-1-11-25-15/h1-4,11-12,18,22H,5-10,13H2/p+1