4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-ium-1-yl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-ium-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 4-[[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-7-hydroxy-coumarin Formula: C20H24N3O6S+ MolecularWeight: 434.48606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C20H23N3O6S/c1-13-20(14(2)29-21-13)30(26,27)23-7-3-6-22(8-9-23)12-15-10-19(25)28-18-11-16(24)4-5-17(15)18/h4-5,10-11,24H,3,6-9,12H2,1-2H3/p+1