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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC(=N2)C3=CC=CS3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC(=N2)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)13-17-14-25-19(20-17)18-7-4-12-26-18/h1-7,12,14H,8-11,13,15H2/p+1