N-[2-[1-(9H-fluoren-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: N-[2-[1-(9H-fluoren-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-(9H-fluoren-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-(9H-fluoren-2-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-(9H-fluoren-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-(9H-fluoren-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C29H29N4O+ MolecularWeight: 449.56676

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC5=C(C=C4)C6=CC=CC=C6C5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC5=C(C=C4)C6=CC=CC=C6C5

InChI

InChI=1S/C29H28N4O/c34-29(22-6-2-1-3-7-22)31-28-12-15-30-33(28)25-13-16-32(17-14-25)20-21-10-11-27-24(18-21)19-23-8-4-5-9-26(23)27/h1-12,15,18,25H,13-14,16-17,19-20H2,(H,31,34)/p+1