3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole

Systemtic Name: 3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)isoxazole Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CS3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CS3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N3O3S2/c23-27(24,15-16-5-2-1-3-6-16)22-10-8-21(9-11-22)14-17-13-18(25-20-17)19-7-4-12-26-19/h1-7,12-13H,8-11,14-15H2/p+1