piperidin-1-yl-[4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone

Systemtic Name: piperidin-1-yl-[4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: 1-piperidyl-[4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: 1-piperidinyl-[4-[[1-[[3-(1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: piperidin-1-yl-[4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: piperidino-[4-[1-(3-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=C(C=C2)OC3CC[NH+](CC3)CC4=CC(=CC=C4)N5C=CC=N5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC(=CC=C4)N5C=CC=N5

InChI

InChI=1S/C27H32N4O2/c32-27(30-15-2-1-3-16-30)23-8-10-25(11-9-23)33-26-12-18-29(19-13-26)21-22-6-4-7-24(20-22)31-17-5-14-28-31/h4-11,14,17,20,26H,1-3,12-13,15-16,18-19,21H2/p+1