5-(4-ethanoylphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxamide

Systemtic Name: 5-(4-ethanoylphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxamide Openeye Name: 5-(4-acetylphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxamide CAS Name: 5-(4-acetylphenyl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2-furancarboxamide IUPAC Name: 5-(4-acetylphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxamide Traditional Name: 5-(4-acetylphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-furamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-19(29)20-7-9-21(10-8-20)23-11-12-24(31-23)25(30)26-13-14-27-15-17-28(18-16-27)22-5-3-2-4-6-22/h2-12H,13-18H2,1H3,(H,26,30)/p+1