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

Systemtic Name: 4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(1-isopropylpyrazol-4-yl)methyl]-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol CAS Name: 4-[(3-phenyl-5-isoxazolyl)methyl]-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-4-piperidin-1-iumol IUPAC Name: 4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-ol Traditional Name: 1-[(1-isopropylpyrazol-4-yl)methyl]-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC=CC=C4)O

InChI

InChI=1S/C22H28N4O2/c1-17(2)26-16-18(14-23-26)15-25-10-8-22(27,9-11-25)13-20-12-21(24-28-20)19-6-4-3-5-7-19/h3-7,12,14,16-17,27H,8-11,13,15H2,1-2H3/p+1