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1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperidin-1-ium-4-carboxylate

1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name:1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperidin-1-ium-4-carboxylate
Openeye Name:1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperidin-1-ium-4-carboxylate
CAS Name:1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-piperidin-1-iumcarboxylate
IUPAC Name:1-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperidin-1-ium-4-carboxylate
Traditional Name:1-(4,5-dimethoxy-2-nitro-benzyl)piperidin-1-ium-4-carboxylate
Formula: C15H20N2O6
MolecularWeight: 324.3291
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H20N2O6/c1-22-13-7-11(12(17(20)21)8-14(13)23-2)9-16-5-3-10(4-6-16)15(18)19/h7-8,10H,3-6,9H2,1-2H3,(H,18,19)


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