5-[3-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[3-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-[3-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[3-(2,6-ditert-butyl-4-methyl-1-pyridin-1-iumyl)propyl]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[3-(2,6-ditert-butyl-4-methylpyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[3-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-yl]amine Formula: C19H31N4S+ MolecularWeight: 347.54124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C(C)(C)C)CCCC2=NN=C(S2)N)C(C)(C)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C(C)(C)C)CCCC2=NN=C(S2)N)C(C)(C)C

InChI

InChI=1S/C19H31N4S/c1-13-11-14(18(2,3)4)23(15(12-13)19(5,6)7)10-8-9-16-21-22-17(20)24-16/h11-12H,8-10H2,1-7H3,(H2,20,22)/q+1