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

Systemtic Name: 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole Formula: C22H22N3O3S2+ MolecularWeight: 440.55838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CS3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CS3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H21N3O3S2/c26-30(27,20-8-7-17-4-1-2-5-18(17)14-20)25-11-9-24(10-12-25)16-19-15-21(28-23-19)22-6-3-13-29-22/h1-8,13-15H,9-12,16H2/p+1