N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-[4-nitro-2-(phenylmethyl)phenoxy]ethanamide

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-[4-nitro-2-(phenylmethyl)phenoxy]ethanamide Openeye Name: 2-(2-benzyl-4-nitro-phenoxy)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)acetamide CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-2-[4-nitro-2-(phenylmethyl)phenoxy]acetamide IUPAC Name: 2-(2-benzyl-4-nitrophenoxy)-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(2-benzyl-4-nitro-phenoxy)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)acetamide Formula: C23H30N3O5+ MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=CC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C23H29N3O5/c1-23(2,25-10-12-30-13-11-25)17-24-22(27)16-31-21-9-8-20(26(28)29)15-19(21)14-18-6-4-3-5-7-18/h3-9,15H,10-14,16-17H2,1-2H3,(H,24,27)/p+1