2-(azepan-1-ium-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C14H25N4OS+ MolecularWeight: 297.4395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C14H24N4OS/c1-11(2)9-13-16-17-14(20-13)15-12(19)10-18-7-5-3-4-6-8-18/h11H,3-10H2,1-2H3,(H,15,17,19)/p+1