3,5-dimethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1H-pyrazole-4-sulfonamide

Systemtic Name: 3,5-dimethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1H-pyrazole-4-sulfonamide Openeye Name: 3,5-dimethyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1H-pyrazole-4-sulfonamide CAS Name: 3,5-dimethyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1H-pyrazole-4-sulfonamide IUPAC Name: 3,5-dimethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1H-pyrazole-4-sulfonamide Traditional Name: 3,5-dimethyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1H-pyrazole-4-sulfonamide Formula: C15H22N5O3S+ MolecularWeight: 352.43188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C15H21N5O3S/c1-11-15(12(2)19-18-11)24(21,22)17-10-13-3-4-14(16-9-13)20-5-7-23-8-6-20/h3-4,9,17H,5-8,10H2,1-2H3,(H,18,19)/p+1