3-(4-ethylpiperazine-1,4-diium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 3-(4-ethylpiperazine-1,4-diium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 3-(4-ethylpiperazine-1,4-diium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 3-(4-ethyl-1-piperazine-1,4-diiumyl)-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 3-(4-ethylpiperazine-1,4-diium-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 3-(4-ethylpiperazine-1,4-diium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C16H26N4O4+2 MolecularWeight: 338.40204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+]1CC[NH+](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+2