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

Systemtic Name: 1-benzothiophen-2-ylmethyl-methyl-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]azanium Openeye Name: benzothiophen-2-ylmethyl-methyl-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-methyl-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-methyl-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]azanium Traditional Name: benzothiophen-2-ylmethyl-methyl-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium Formula: C20H20N3O2S+ MolecularWeight: 366.4567

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2S1)CC3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2S1)CC3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C20H19N3O2S/c1-23(12-17-11-15-7-5-6-10-18(15)26-17)13-20-21-19(22-25-20)14-24-16-8-3-2-4-9-16/h2-11H,12-14H2,1H3/p+1