N-(2-methoxy-4-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C19H23N4O4+ MolecularWeight: 371.41032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O4/c1-27-18-13-16(23(25)26)7-8-17(18)20-19(24)14-21-9-11-22(12-10-21)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,20,24)/p+1