(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium Traditional Name: (2-keto-6,7-dimethyl-chromen-4-yl)methyl-propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=CC(=O)OC2=CC(=C(C=C12)C)C)CC3=NN=C(O3)C4=CC=CS4

Isomeric SMILES

CCC[NH+](CC1=CC(=O)OC2=CC(=C(C=C12)C)C)CC3=NN=C(O3)C4=CC=CS4

InChI

InChI=1S/C22H23N3O3S/c1-4-7-25(13-20-23-24-22(28-20)19-6-5-8-29-19)12-16-11-21(26)27-18-10-15(3)14(2)9-17(16)18/h5-6,8-11H,4,7,12-13H2,1-3H3/p+1