4-phenyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide

Systemtic Name: 4-phenyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: 4-phenyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide CAS Name: 4-phenyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]butanamide IUPAC Name: 4-phenyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Traditional Name: 4-phenyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butyramide Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CC=NN4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CC=NN4

InChI

InChI=1S/C22H28N6O/c29-22(8-4-7-18-5-2-1-3-6-18)25-21-10-14-24-28(21)20-11-15-27(16-12-20)17-19-9-13-23-26-19/h1-3,5-6,9-10,13-14,20H,4,7-8,11-12,15-17H2,(H,23,26)(H,25,29)/p+1