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

Systemtic Name: 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Openeye Name: 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol CAS Name: 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-[(3-phenyl-5-isoxazolyl)methyl]-4-piperidin-1-iumol IUPAC Name: 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Traditional Name: 4-[(3-phenylisoxazol-5-yl)methyl]-1-(piazthiol-5-ylmethyl)piperidin-1-ium-4-ol Formula: C22H23N4O2S+ MolecularWeight: 407.50862

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(CC2=CC(=NO2)C3=CC=CC=C3)O)CC4=CC5=NSN=C5C=C4

Isomeric SMILES

C1C[NH+](CCC1(CC2=CC(=NO2)C3=CC=CC=C3)O)CC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C22H22N4O2S/c27-22(14-18-13-20(23-28-18)17-4-2-1-3-5-17)8-10-26(11-9-22)15-16-6-7-19-21(12-16)25-29-24-19/h1-7,12-13,27H,8-11,14-15H2/p+1