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

Systemtic Name: 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol CAS Name: 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[(3-phenyl-5-isoxazolyl)methyl]-4-piperidin-1-iumol IUPAC Name: 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Traditional Name: 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=NN1)C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC=CC=C4)O

InChI

InChI=1S/C20H24N4O2/c1-15-11-17(22-21-15)14-24-9-7-20(25,8-10-24)13-18-12-19(23-26-18)16-5-3-2-4-6-16/h2-6,11-12,25H,7-10,13-14H2,1H3,(H,21,22)/p+1