5-(furan-2-yl)-3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole

Systemtic Name: 5-(furan-2-yl)-3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Openeye Name: 5-(2-furyl)-3-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-(2-furanyl)-3-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-(furan-2-yl)-3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Traditional Name: 5-(2-furyl)-3-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C22H22N3O4S+ MolecularWeight: 424.49278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H21N3O4S/c26-30(27,20-8-7-17-4-1-2-5-18(17)14-20)25-11-9-24(10-12-25)16-19-15-22(29-23-19)21-6-3-13-28-21/h1-8,13-15H,9-12,16H2/p+1