2-methoxy-6-nitro-4-(piperidin-1-ium-1-ylmethyl)phenolate

Systemtic Name: 2-methoxy-6-nitro-4-(piperidin-1-ium-1-ylmethyl)phenolate Openeye Name: 2-methoxy-6-nitro-4-(piperidin-1-ium-1-ylmethyl)phenolate CAS Name: 2-methoxy-6-nitro-4-(1-piperidin-1-iumylmethyl)phenolate IUPAC Name: 2-methoxy-6-nitro-4-(piperidin-1-ium-1-ylmethyl)phenolate Traditional Name: 2-methoxy-6-nitro-4-(piperidin-1-ium-1-ylmethyl)phenolate Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCCCC2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCCCC2

InChI

InChI=1S/C13H18N2O4/c1-19-12-8-10(7-11(13(12)16)15(17)18)9-14-5-3-2-4-6-14/h7-8,16H,2-6,9H2,1H3