1-benzothiophen-2-ylmethyl-[[3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-methyl-azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-[[3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-methyl-azanium Openeye Name: benzothiophen-2-ylmethyl-[[3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-methyl-ammonium CAS Name: 1-benzothiophen-2-ylmethyl-[[3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-methylammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-[[3-(4-methoxycarbonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-methylazanium Traditional Name: benzothiophen-2-ylmethyl-[[3-(4-carbomethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-methyl-ammonium Formula: C21H20N3O3S+ MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2S1)CC3=NC(=NO3)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2S1)CC3=NC(=NO3)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H19N3O3S/c1-24(12-17-11-16-5-3-4-6-18(16)28-17)13-19-22-20(23-27-19)14-7-9-15(10-8-14)21(25)26-2/h3-11H,12-13H2,1-2H3/p+1