N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(2-nitrophenoxy)acetamide Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)COC2=CC=CC=C2[N+](=O)[O-])[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)COC2=CC=CC=C2[N+](=O)[O-])[NH+]3CCCCC3

InChI

InChI=1S/C22H27N3O5/c1-29-18-11-9-17(10-12-18)20(24-13-5-2-6-14-24)15-23-22(26)16-30-21-8-4-3-7-19(21)25(27)28/h3-4,7-12,20H,2,5-6,13-16H2,1H3,(H,23,26)/p+1/t20-/m0/s1