3,5-dimethyl-4-[(2S)-2-pyridin-1-ium-4-ylpyrrolidin-1-yl]sulfonyl-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[(2S)-2-pyridin-1-ium-4-ylpyrrolidin-1-yl]sulfonyl-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[(2S)-2-pyridin-1-ium-4-ylpyrrolidin-1-yl]sulfonyl-isoxazole CAS Name: 3,5-dimethyl-4-[[(2S)-2-(4-pyridin-1-iumyl)-1-pyrrolidinyl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[(2S)-2-pyridin-1-ium-4-ylpyrrolidin-1-yl]sulfonyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[(2S)-2-pyridin-1-ium-4-ylpyrrolidino]sulfonyl-isoxazole Formula: C14H18N3O3S+ MolecularWeight: 308.37602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC2C3=CC=[NH+]C=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC[C@H]2C3=CC=[NH+]C=C3

InChI

InChI=1S/C14H17N3O3S/c1-10-14(11(2)20-16-10)21(18,19)17-9-3-4-13(17)12-5-7-15-8-6-12/h5-8,13H,3-4,9H2,1-2H3/p+1/t13-/m0/s1