4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C15H22N2O4/c1-10-4-11(2)8-16(7-10)9-12-5-13(17(19)20)15(18)14(6-12)21-3/h5-6,10-11,18H,4,7-9H2,1-3H3/t10-,11-/m1/s1