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

Systemtic Name: (8-methyl-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-8-methyl-2-oxo-chromen-4-yl)methyl-propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium CAS Name: (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ammonium IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium Traditional Name: (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl-propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=CC(=O)OC2=C1C=CC(=C2C)O)CC3=NN=C(O3)C4=CC=CS4

Isomeric SMILES

CCC[NH+](CC1=CC(=O)OC2=C1C=CC(=C2C)O)CC3=NN=C(O3)C4=CC=CS4

InChI

InChI=1S/C21H21N3O4S/c1-3-8-24(12-18-22-23-21(27-18)17-5-4-9-29-17)11-14-10-19(26)28-20-13(2)16(25)7-6-15(14)20/h4-7,9-10,25H,3,8,11-12H2,1-2H3/p+1