3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole

Systemtic Name: 3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-phenyl-isoxazole CAS Name: 3-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-phenylisoxazole IUPAC Name: 3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-phenyl-isoxazole Formula: C22H22N3OS+ MolecularWeight: 376.49458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NOC(=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=NOC(=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N3OS/c1-2-7-16(8-3-1)20-13-18(24-26-20)15-25-12-6-9-17(14-25)22-23-19-10-4-5-11-21(19)27-22/h1-5,7-8,10-11,13,17H,6,9,12,14-15H2/p+1/t17-/m1/s1