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

Systemtic Name: 2-methoxy-6-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-nitro-phenolate Openeye Name: 2-methoxy-6-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-nitro-phenolate CAS Name: 2-methoxy-6-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-nitrophenolate IUPAC Name: 2-methoxy-6-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-nitrophenolate Traditional Name: 2-methoxy-6-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-nitro-phenolate Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC(=CC(=C2[O-])OC)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC(=CC(=C2[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O4/c1-10-3-5-15(6-4-10)9-11-7-12(16(18)19)8-13(20-2)14(11)17/h7-8,10,17H,3-6,9H2,1-2H3