2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitro-pyridin-1-ium

Systemtic Name: 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitro-pyridin-1-ium Openeye Name: 2-[4-[3-(2-furyl)-1H-pyrazol-5-yl]-1-piperidyl]-3-nitro-pyridin-1-ium CAS Name: 2-[4-[3-(2-furanyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridin-1-ium IUPAC Name: 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitropyridin-1-ium Traditional Name: 2-[4-[3-(2-furyl)-1H-pyrazol-5-yl]piperidino]-3-nitro-pyridin-1-ium Formula: C17H18N5O3+ MolecularWeight: 340.35652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=NN2)C3=CC=CO3)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=CC(=NN2)C3=CC=CO3)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3/c23-22(24)15-3-1-7-18-17(15)21-8-5-12(6-9-21)13-11-14(20-19-13)16-4-2-10-25-16/h1-4,7,10-12H,5-6,8-9H2,(H,19,20)/p+1