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

Systemtic Name: 4-tert-butyl-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-tert-butyl-N-[5-[2-(1-piperidin-1-iumyl)ethyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H29N4OS+ MolecularWeight: 373.53546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4OS/c1-20(2,3)16-9-7-15(8-10-16)18(25)21-19-23-22-17(26-19)11-14-24-12-5-4-6-13-24/h7-10H,4-6,11-14H2,1-3H3,(H,21,23,25)/p+1