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

Systemtic Name: (3-methylphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: m-tolyl-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-methylphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methylphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: m-tolyl-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C19H20N4O2S/c1-14-4-2-5-15(12-14)19(24)23-9-7-22(8-10-23)13-17-20-18(21-25-17)16-6-3-11-26-16/h2-6,11-12H,7-10,13H2,1H3/p+1