N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide

Systemtic Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide Openeye Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide CAS Name: N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide IUPAC Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide Traditional Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]benzofurazan-4-sulfonamide Formula: C13H19N4O3S+ MolecularWeight: 311.37996

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNS(=O)(=O)C2=CC=CC3=NON=C32

Isomeric SMILES

CC[NH+]1CCCC1CNS(=O)(=O)C2=CC=CC3=NON=C32

InChI

InChI=1S/C13H18N4O3S/c1-2-17-8-4-5-10(17)9-14-21(18,19)12-7-3-6-11-13(12)16-20-15-11/h3,6-7,10,14H,2,4-5,8-9H2,1H3/p+1