2-methoxy-6-nitro-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phenolate Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-methoxy-6-nitro-phenolate CAS Name: 2-methoxy-6-nitro-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]phenolate IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-methoxy-6-nitro-phenolate Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4/c1-26-19-13-17(12-18(20(19)23)22(24)25)14-21-9-7-16(8-10-21)11-15-5-3-2-4-6-15/h2-6,12-13,16,23H,7-11,14H2,1H3