3-(5-phenylfuran-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(5-phenylfuran-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(5-phenyl-2-furyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(5-phenyl-2-furanyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(5-phenylfuran-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(5-phenyl-2-furyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCC3=CC=C(O3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCC3=CC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2/c27-23(9-7-21-6-8-22(28-21)20-4-2-1-3-5-20)26-16-14-25(15-17-26)18-19-10-12-24-13-11-19/h1-6,8,10-13H,7,9,14-18H2/p+1