1-[4-[5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylfuran-2-yl]phenyl]ethanone

Systemtic Name: 1-[4-[5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylfuran-2-yl]phenyl]ethanone Openeye Name: 1-[4-[5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-2-furyl]phenyl]ethanone CAS Name: 1-[4-[5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-furanyl]phenyl]ethanone IUPAC Name: 1-[4-[5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)furan-2-yl]phenyl]ethanone Traditional Name: 1-[4-[5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-2-furyl]phenyl]ethanone Formula: C22H22N3O3+ MolecularWeight: 376.42838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H21N3O3/c1-16(26)17-5-7-18(8-6-17)19-9-10-20(28-19)22(27)25-14-12-24(13-15-25)21-4-2-3-11-23-21/h2-11H,12-15H2,1H3/p+1