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

Systemtic Name: [4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-[[3-(1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-(3-pyrazol-1-ylbenzyl)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=CC(=CC=C4)N5C=CC=N5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC(=CC=C4)N5C=CC=N5

InChI

InChI=1S/C26H30N4O2/c31-26(29-14-1-2-15-29)22-7-9-24(10-8-22)32-25-11-17-28(18-12-25)20-21-5-3-6-23(19-21)30-16-4-13-27-30/h3-10,13,16,19,25H,1-2,11-12,14-15,17-18,20H2/p+1