[2-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone

Systemtic Name: [2-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [2-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [2-[[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [2-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C27H33N4O2+ MolecularWeight: 445.57652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)CC4=C(NN=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)CC4=C(NN=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H32N4O2/c32-27(31-15-7-2-8-16-31)24-11-5-6-12-25(24)33-23-13-17-30(18-14-23)20-22-19-28-29-26(22)21-9-3-1-4-10-21/h1,3-6,9-12,19,23H,2,7-8,13-18,20H2,(H,28,29)/p+1