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

Systemtic Name: 4-tert-butyl-N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-tert-butyl-N-[5-[2-(4-morpholin-4-iumyl)ethyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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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+]3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC[NH+]3CCOCC3

InChI

InChI=1S/C19H26N4O2S/c1-19(2,3)15-6-4-14(5-7-15)17(24)20-18-22-21-16(26-18)8-9-23-10-12-25-13-11-23/h4-7H,8-13H2,1-3H3,(H,20,22,24)/p+1