3-(5-phenylfuran-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(5-phenylfuran-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(5-phenyl-2-furyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(5-phenyl-2-furanyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(5-phenylfuran-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(5-phenyl-2-furyl)-1-(4-pyridin-1-ium-4-ylpiperazino)propan-1-one Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCC3=CC=C(O3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCC3=CC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c26-22(25-16-14-24(15-17-25)19-10-12-23-13-11-19)9-7-20-6-8-21(27-20)18-4-2-1-3-5-18/h1-6,8,10-13H,7,9,14-17H2/p+1