[4-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=C(NN=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=C(NN=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H30N4O2/c31-26(30-14-4-5-15-30)21-8-10-23(11-9-21)32-24-12-16-29(17-13-24)19-22-18-27-28-25(22)20-6-2-1-3-7-20/h1-3,6-11,18,24H,4-5,12-17,19H2,(H,27,28)/p+1