(4-dimethylaminophenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-dimethylaminophenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-dimethylaminophenyl)-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-dimethylaminophenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-dimethylaminophenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-dimethylaminophenyl)-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C20H24N5O2S+ MolecularWeight: 398.50186

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C20H23N5O2S/c1-23(2)16-7-5-15(6-8-16)20(26)25-11-9-24(10-12-25)14-18-21-19(22-27-18)17-4-3-13-28-17/h3-8,13H,9-12,14H2,1-2H3/p+1