3-(1-methylpiperidin-1-ium-1-yl)-5-nitro-2H-indazole

Systemtic Name: 3-(1-methylpiperidin-1-ium-1-yl)-5-nitro-2H-indazole Openeye Name: 3-(1-methylpiperidin-1-ium-1-yl)-5-nitro-2H-indazole CAS Name: 3-(1-methyl-1-piperidin-1-iumyl)-5-nitro-2H-indazole IUPAC Name: 3-(1-methylpiperidin-1-ium-1-yl)-5-nitro-2H-indazole Traditional Name: 3-(1-methylpiperidin-1-ium-1-yl)-5-nitro-2H-indazole Formula: C13H17N4O2+ MolecularWeight: 261.29968

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)C2=C3C=C(C=CC3=NN2)[N+](=O)[O-]

Isomeric SMILES

C[N+]1(CCCCC1)C2=C3C=C(C=CC3=NN2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N4O2/c1-17(7-3-2-4-8-17)13-11-9-10(16(18)19)5-6-12(11)14-15-13/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)/q+1