N-[[4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[[4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[[4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[[4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]phenyl]methyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[[4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzyl]-2-(2-nitrophenoxy)acetamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CC=C(C=C2)CNC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=CC=C(C=C2)CNC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4/c1-17-6-4-5-13-24(17)15-19-11-9-18(10-12-19)14-23-22(26)16-29-21-8-3-2-7-20(21)25(27)28/h2-3,7-12,17H,4-6,13-16H2,1H3,(H,23,26)/p+1/t17-/m0/s1