3,5-ditert-butyl-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3,5-ditert-butyl-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,5-ditert-butyl-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3,5-ditert-butyl-N-[5-[2-(1-piperidin-1-iumyl)ethyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,5-ditert-butyl-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3,5-ditert-butyl-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C24H37N4OS+ MolecularWeight: 429.64178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)CC[NH+]3CCCCC3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)CC[NH+]3CCCCC3)C(C)(C)C

InChI

InChI=1S/C24H36N4OS/c1-23(2,3)18-14-17(15-19(16-18)24(4,5)6)21(29)25-22-27-26-20(30-22)10-13-28-11-8-7-9-12-28/h14-16H,7-13H2,1-6H3,(H,25,27,29)/p+1