2-[4-[2-(2-nitrophenoxy)ethanoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(2-nitrophenoxy)ethanoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[[2-(2-nitrophenoxy)acetyl]amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[[2-(2-nitrophenoxy)acetyl]amino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[[2-(2-nitrophenoxy)acetyl]amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C21H25N4O5+ MolecularWeight: 413.447

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)COC2=CC=CC=C2[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)COC2=CC=CC=C2[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O5/c26-20(22-16-6-2-1-3-7-16)14-24-12-10-17(11-13-24)23-21(27)15-30-19-9-5-4-8-18(19)25(28)29/h1-9,17H,10-15H2,(H,22,26)(H,23,27)/p+1