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

Systemtic Name: [(2S)-1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperidin-1-ium-2-yl]methanol Openeye Name: [(2S)-1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperidin-1-ium-2-yl]methanol CAS Name: [(2S)-1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-piperidin-1-iumyl]methanol IUPAC Name: [(2S)-1-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperidin-1-ium-2-yl]methanol Traditional Name: [(2S)-1-(4,5-dimethoxy-2-nitro-benzyl)piperidin-1-ium-2-yl]methanol Formula: C15H23N2O5+ MolecularWeight: 311.35352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCCCC2CO)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCCC[C@H]2CO)[N+](=O)[O-])OC

InChI

InChI=1S/C15H22N2O5/c1-21-14-7-11(13(17(19)20)8-15(14)22-2)9-16-6-4-3-5-12(16)10-18/h7-8,12,18H,3-6,9-10H2,1-2H3/p+1/t12-/m0/s1