2-[4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[[5-(2-nitrophenyl)-2-furyl]methyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[[5-(2-nitrophenyl)-2-furanyl]methyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[[5-(2-nitrophenyl)-2-furyl]methyl]piperazin-4-ium-1-yl]ethanol Formula: C17H22N3O4+ MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])CCO

InChI

InChI=1S/C17H21N3O4/c21-12-11-18-7-9-19(10-8-18)13-14-5-6-17(24-14)15-3-1-2-4-16(15)20(22)23/h1-6,21H,7-13H2/p+1