N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-6-morpholin-4-yl-pyridin-1-ium-3-sulfonamide

Systemtic Name: N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-6-morpholin-4-yl-pyridin-1-ium-3-sulfonamide Openeye Name: N-[(5-methyl-3-phenyl-isoxazol-4-yl)methyl]-6-morpholino-pyridin-1-ium-3-sulfonamide CAS Name: N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]-6-(4-morpholinyl)-3-pyridin-1-iumsulfonamide IUPAC Name: N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide Traditional Name: N-[(5-methyl-3-phenyl-isoxazol-4-yl)methyl]-6-morpholino-pyridin-1-ium-3-sulfonamide Formula: C20H23N4O4S+ MolecularWeight: 415.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)CNS(=O)(=O)C3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)CNS(=O)(=O)C3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C20H22N4O4S/c1-15-18(20(23-28-15)16-5-3-2-4-6-16)14-22-29(25,26)17-7-8-19(21-13-17)24-9-11-27-12-10-24/h2-8,13,22H,9-12,14H2,1H3/p+1