3,5-dimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1,2-oxazole-4-sulfonamide

Systemtic Name: 3,5-dimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1,2-oxazole-4-sulfonamide Openeye Name: 3,5-dimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]isoxazole-4-sulfonamide CAS Name: 3,5-dimethyl-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-4-isoxazolesulfonamide IUPAC Name: 3,5-dimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1,2-oxazole-4-sulfonamide Traditional Name: 3,5-dimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]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)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C17H23N3O4S/c1-13-17(14(2)24-18-13)25(21,22)19-16(15-6-4-3-5-7-15)12-20-8-10-23-11-9-20/h3-7,16,19H,8-12H2,1-2H3/p+1/t16-/m1/s1