[4-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [4-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [4-[[1-[(1-phenyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [4-[1-[(1-phenylpyrazol-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=C(C=C2)OC3CC[NH+](CC3)CC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CN(N=C4)C5=CC=CC=C5

InChI

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