N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-[(5-ethyl-2-furanyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2/c1-2-20-8-9-21(29-20)17-26-14-11-19(12-15-26)27-22(10-13-24-27)25-23(28)16-18-6-4-3-5-7-18/h3-10,13,19H,2,11-12,14-17H2,1H3,(H,25,28)/p+1