N'-(4-butoxyphenyl)-N-[3-(1H-imidazol-3-ium-3-yl)propyl]ethanediamide

Systemtic Name: N'-(4-butoxyphenyl)-N-[3-(1H-imidazol-3-ium-3-yl)propyl]ethanediamide Openeye Name: N'-(4-butoxyphenyl)-N-[3-(1H-imidazol-3-ium-3-yl)propyl]oxamide CAS Name: N'-(4-butoxyphenyl)-N-[3-(1H-imidazol-3-ium-3-yl)propyl]oxamide IUPAC Name: N'-(4-butoxyphenyl)-N-[3-(1H-imidazol-3-ium-3-yl)propyl]oxamide Traditional Name: N'-(4-butoxyphenyl)-N-[3-(1H-imidazol-3-ium-3-yl)propyl]oxamide Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(=O)NCCC[N+]2=CNC=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(=O)NCCC[N+]2=CNC=C2

InChI

InChI=1S/C18H24N4O3/c1-2-3-13-25-16-7-5-15(6-8-16)21-18(24)17(23)20-9-4-11-22-12-10-19-14-22/h5-8,10,12,14H,2-4,9,11,13H2,1H3,(H2,20,21,23,24)/p+1