5-nitro-1-(piperidin-1-ium-1-ylmethyl)benzotriazole

Systemtic Name: 5-nitro-1-(piperidin-1-ium-1-ylmethyl)benzotriazole Openeye Name: 5-nitro-1-(piperidin-1-ium-1-ylmethyl)benzotriazole CAS Name: 5-nitro-1-(1-piperidin-1-iumylmethyl)benzotriazole IUPAC Name: 5-nitro-1-(piperidin-1-ium-1-ylmethyl)benzotriazole Traditional Name: 5-nitro-1-(piperidin-1-ium-1-ylmethyl)benzotriazole Formula: C12H16N5O2+ MolecularWeight: 262.28774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O2/c18-17(19)10-4-5-12-11(8-10)13-14-16(12)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2/p+1