3,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide

Systemtic Name: 3,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide Openeye Name: 3,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]isoxazole-4-sulfonamide CAS Name: 3,5-dimethyl-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-4-isoxazolesulfonamide IUPAC Name: 3,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide Traditional Name: 3,5-dimethyl-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]isoxazole-4-sulfonamide Formula: C17H24N3O4S+ MolecularWeight: 366.45516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C17H23N3O4S/c1-13-17(14(2)24-19-13)25(21,22)18-11-15-5-3-4-6-16(15)12-20-7-9-23-10-8-20/h3-6,18H,7-12H2,1-2H3/p+1