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

Systemtic Name: 1-benzothiophen-2-ylmethyl-[[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-methyl-azanium Openeye Name: benzothiophen-2-ylmethyl-[[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-methyl-ammonium CAS Name: 1-benzothiophen-2-ylmethyl-[[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-methylammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-[[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-methylazanium Traditional Name: benzothiophen-2-ylmethyl-methyl-[(3-veratryl-1,2,4-oxadiazol-5-yl)methyl]ammonium Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2S1)CC3=NC(=NO3)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2S1)CC3=NC(=NO3)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H23N3O3S/c1-25(13-17-12-16-6-4-5-7-20(16)29-17)14-22-23-21(24-28-22)11-15-8-9-18(26-2)19(10-15)27-3/h4-10,12H,11,13-14H2,1-3H3/p+1