6-nitro-1-(piperidin-1-ium-1-ylmethyl)indazole

Systemtic Name: 6-nitro-1-(piperidin-1-ium-1-ylmethyl)indazole Openeye Name: 6-nitro-1-(piperidin-1-ium-1-ylmethyl)indazole CAS Name: 6-nitro-1-(1-piperidin-1-iumylmethyl)indazole IUPAC Name: 6-nitro-1-(piperidin-1-ium-1-ylmethyl)indazole Traditional Name: 6-nitro-1-(piperidin-1-ium-1-ylmethyl)indazole Formula: C13H17N4O2+ MolecularWeight: 261.29968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

InChI

InChI=1S/C13H16N4O2/c18-17(19)12-5-4-11-9-14-16(13(11)8-12)10-15-6-2-1-3-7-15/h4-5,8-9H,1-3,6-7,10H2/p+1