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

Systemtic Name: 1-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(3-chloro-4-hydroxy-phenyl)methyl]-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol CAS Name: 1-[(3-chloro-4-hydroxyphenyl)methyl]-4-[(3-phenyl-5-isoxazolyl)methyl]-4-piperidin-1-iumol IUPAC Name: 1-[(3-chloro-4-hydroxyphenyl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Traditional Name: 1-(3-chloro-4-hydroxy-benzyl)-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol Formula: C22H24ClN2O3+ MolecularWeight: 399.89056

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(CC2=CC(=NO2)C3=CC=CC=C3)O)CC4=CC(=C(C=C4)O)Cl

Isomeric SMILES

C1C[NH+](CCC1(CC2=CC(=NO2)C3=CC=CC=C3)O)CC4=CC(=C(C=C4)O)Cl

InChI

InChI=1S/C22H23ClN2O3/c23-19-12-16(6-7-21(19)26)15-25-10-8-22(27,9-11-25)14-18-13-20(24-28-18)17-4-2-1-3-5-17/h1-7,12-13,26-27H,8-11,14-15H2/p+1