N-[2-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: N-[2-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-[[4-(2-furyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-[[4-(2-furanyl)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-[[4-(furan-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-[4-(2-furyl)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C26H27N4O2+ MolecularWeight: 427.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC=CO5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC=CO5

InChI

InChI=1S/C26H26N4O2/c31-26(22-5-2-1-3-6-22)28-25-12-15-27-30(25)23-13-16-29(17-14-23)19-20-8-10-21(11-9-20)24-7-4-18-32-24/h1-12,15,18,23H,13-14,16-17,19H2,(H,28,31)/p+1