3,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-1,2-oxazole Openeye Name: 3,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-isoxazole Formula: C14H19N4O3S+ MolecularWeight: 323.39066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C14H18N4O3S/c1-11-14(12(2)21-16-11)22(19,20)18-9-7-17(8-10-18)13-5-3-4-6-15-13/h3-6H,7-10H2,1-2H3/p+1