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

Systemtic Name: 2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: N-[2-[1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: 2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: 2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: N-[2-[1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C23H31N6O+ MolecularWeight: 407.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NNC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N6O/c1-17(2)21-15-19(26-27-21)16-28-12-9-20(10-13-28)29-22(8-11-24-29)25-23(30)14-18-6-4-3-5-7-18/h3-8,11,15,17,20H,9-10,12-14,16H2,1-2H3,(H,25,30)(H,26,27)/p+1