4-methyl-5-(4-morpholin-2-ylsulfonylphenyl)-1,3-dihydropyrazol-2-ium 2-oxide

Systemtic Name: 4-methyl-5-(4-morpholin-2-ylsulfonylphenyl)-1,3-dihydropyrazol-2-ium 2-oxide Openeye Name: 4-methyl-5-(4-morpholin-2-ylsulfonylphenyl)-1,3-dihydropyrazol-2-ium 2-oxide CAS Name: 4-methyl-5-[4-(2-morpholinylsulfonyl)phenyl]-1,3-dihydropyrazol-2-ium 2-oxide IUPAC Name: 4-methyl-5-(4-morpholin-2-ylsulfonylphenyl)-1,3-dihydropyrazol-2-ium 2-oxide Traditional Name: 4-methyl-3-(4-morpholin-2-ylsulfonylphenyl)-3-pyrazolin-1-ium 1-oxide Formula: C14H18N3O4S+ MolecularWeight: 324.37542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N[N+](=O)C1)C2=CC=C(C=C2)S(=O)(=O)C3CNCCO3

Isomeric SMILES

CC1=C(N[N+](=O)C1)C2=CC=C(C=C2)S(=O)(=O)C3CNCCO3

InChI

InChI=1S/C14H18N3O4S/c1-10-9-17(18)16-14(10)11-2-4-12(5-3-11)22(19,20)13-8-15-6-7-21-13/h2-5,13,15H,6-9H2,1H3,(H,16,18)/q+1