(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl-propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium CAS Name: (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ammonium IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium Traditional Name: (7-hydroxy-2-keto-chromen-4-yl)methyl-propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium Formula: C20H20N3O4S+ MolecularWeight: 398.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=CC(=O)OC2=C1C=CC(=C2)O)CC3=NN=C(O3)C4=CC=CS4

Isomeric SMILES

CCC[NH+](CC1=CC(=O)OC2=C1C=CC(=C2)O)CC3=NN=C(O3)C4=CC=CS4

InChI

InChI=1S/C20H19N3O4S/c1-2-7-23(12-18-21-22-20(27-18)17-4-3-8-28-17)11-13-9-19(25)26-16-10-14(24)5-6-15(13)16/h3-6,8-10,24H,2,7,11-12H2,1H3/p+1