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

Systemtic Name: 2-methoxyethyl-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium Openeye Name: 2-methoxyethyl-[(7-methoxy-2-oxo-chromen-4-yl)methyl]-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium CAS Name: 2-methoxyethyl-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ammonium IUPAC Name: 2-methoxyethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium Traditional Name: (2-keto-7-methoxy-chromen-4-yl)methyl-(2-methoxyethyl)-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium Formula: C21H22N3O5S+ MolecularWeight: 428.48148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-26-8-7-24(13-19-22-23-21(29-19)18-4-3-9-30-18)12-14-10-20(25)28-17-11-15(27-2)5-6-16(14)17/h3-6,9-11H,7-8,12-13H2,1-2H3/p+1