4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-ol

Systemtic Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-ol Openeye Name: 4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-ol CAS Name: 4-[[3-(3-methoxyphenyl)-5-isoxazolyl]methyl]-1-[3-(1-pyrazolyl)propyl]-4-piperidin-1-iumol IUPAC Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-ol Traditional Name: 4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-ol Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NOC(=C2)CC3(CC[NH+](CC3)CCCN4C=CC=N4)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NOC(=C2)CC3(CC[NH+](CC3)CCCN4C=CC=N4)O

InChI

InChI=1S/C22H28N4O3/c1-28-19-6-2-5-18(15-19)21-16-20(29-24-21)17-22(27)7-13-25(14-8-22)10-4-12-26-11-3-9-23-26/h2-3,5-6,9,11,15-16,27H,4,7-8,10,12-14,17H2,1H3/p+1