piperidin-1-yl-[2-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone

Systemtic Name: piperidin-1-yl-[2-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: 1-piperidyl-[2-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: 1-piperidinyl-[2-[[1-[[4-(1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: piperidin-1-yl-[2-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: piperidino-[2-[1-(4-pyrazol-1-ylbenzyl)piperidin-1-ium-4-yl]oxyphenyl]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=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)CC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C27H32N4O2/c32-27(30-16-4-1-5-17-30)25-7-2-3-8-26(25)33-24-13-19-29(20-14-24)21-22-9-11-23(12-10-22)31-18-6-15-28-31/h2-3,6-12,15,18,24H,1,4-5,13-14,16-17,19-21H2/p+1