methyl 5-methoxy-2-nitro-4-(3-piperidin-1-ium-1-ylpropoxy)benzoate

Systemtic Name: methyl 5-methoxy-2-nitro-4-(3-piperidin-1-ium-1-ylpropoxy)benzoate Openeye Name: methyl 5-methoxy-2-nitro-4-(3-piperidin-1-ium-1-ylpropoxy)benzoate CAS Name: 5-methoxy-2-nitro-4-[3-(1-piperidin-1-iumyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 5-methoxy-2-nitro-4-(3-piperidin-1-ium-1-ylpropoxy)benzoate Traditional Name: 5-methoxy-2-nitro-4-(3-piperidin-1-ium-1-ylpropoxy)benzoic acid methyl ester Formula: C17H25N2O6+ MolecularWeight: 353.3902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O6/c1-23-15-11-13(17(20)24-2)14(19(21)22)12-16(15)25-10-6-9-18-7-4-3-5-8-18/h11-12H,3-10H2,1-2H3/p+1