3-(4-methylphenyl)-5-[[4-(4-methylpiperidin-1-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-methylphenyl)-5-[[4-(4-methylpiperidin-1-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[[4-[(4-methyl-1-piperidyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-3-(p-tolyl)-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[[4-[(4-methyl-1-piperidinyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-[[4-(4-methylpiperidin-1-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 5-[[4-(4-methylpiperidino)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(p-tolyl)-1,2,4-oxadiazole Formula: C20H30N5O3S+ MolecularWeight: 420.5489

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=C(C=C4)C

InChI

InChI=1S/C20H29N5O3S/c1-16-3-5-18(6-4-16)20-21-19(28-22-20)15-23-11-13-25(14-12-23)29(26,27)24-9-7-17(2)8-10-24/h3-6,17H,7-15H2,1-2H3/p+1