3-[5-(4-pyridin-1-ium-4-ylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole

Systemtic Name: 3-[5-(4-pyridin-1-ium-4-ylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole Openeye Name: 3-[5-(4-pyridin-1-ium-4-ylpiperazin-1-yl)sulfonyl-2-thienyl]isoxazole CAS Name: 3-[5-[[4-(4-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-2-thiophenyl]isoxazole IUPAC Name: 3-[5-(4-pyridin-1-ium-4-ylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole Traditional Name: 3-[5-(4-pyridin-1-ium-4-ylpiperazino)sulfonyl-2-thienyl]isoxazole Formula: C16H17N4O3S2+ MolecularWeight: 377.46118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)S(=O)(=O)C3=CC=C(S3)C4=NOC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)S(=O)(=O)C3=CC=C(S3)C4=NOC=C4

InChI

InChI=1S/C16H16N4O3S2/c21-25(22,16-2-1-15(24-16)14-5-12-23-18-14)20-10-8-19(9-11-20)13-3-6-17-7-4-13/h1-7,12H,8-11H2/p+1