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

Systemtic Name: 4-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[[(2S)-2-ethylpiperidin-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:

CCC1CCCC[NH+]1CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-3-12-6-4-5-7-16(12)10-11-8-13(17(19)20)15(18)14(9-11)21-2/h8-9,12,18H,3-7,10H2,1-2H3/t12-/m0/s1