3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-isoxazole CAS Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]methyl]-5-phenylisoxazole IUPAC Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-isoxazole Formula: C22H23N4OS+ MolecularWeight: 391.50922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CC=C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CC=C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N4OS/c1-2-6-17(7-3-1)20-14-18(24-27-20)15-25-10-12-26(13-11-25)16-22-23-19-8-4-5-9-21(19)28-22/h1-9,14H,10-13,15-16H2/p+1