3-(1H-indol-3-yl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(1H-indol-3-yl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(1H-indol-3-yl)-1-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(1H-indol-3-yl)-1-[4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(1H-indol-3-yl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(1H-indol-3-yl)-1-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]propan-1-one Formula: C22H24N5O2S+ MolecularWeight: 422.52326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CSC=C3)C(=O)CCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CSC=C3)C(=O)CCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C22H23N5O2S/c28-21(6-5-16-13-23-19-4-2-1-3-18(16)19)27-10-8-26(9-11-27)14-20-24-22(25-29-20)17-7-12-30-15-17/h1-4,7,12-13,15,23H,5-6,8-11,14H2/p+1