3-(4-ethylpiperazin-4-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 3-(4-ethylpiperazin-4-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 3-(4-ethyl-1-piperazin-4-iumyl)-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 3-(4-ethylpiperazin-4-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C16H25N4O4+ MolecularWeight: 337.3941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC[NH+]1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H24N4O4/c1-3-18-8-10-19(11-9-18)7-6-16(21)17-14-12-13(20(22)23)4-5-15(14)24-2/h4-5,12H,3,6-11H2,1-2H3,(H,17,21)/p+1