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

Systemtic Name: 5-[3-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-amine perchlorate Openeye Name: 5-[3-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-amine perchlorate CAS Name: 5-[3-(2,6-ditert-butyl-4-methyl-1-pyridin-1-iumyl)propyl]-1,3,4-thiadiazol-2-amine perchlorate IUPAC Name: 5-[3-(2,6-ditert-butyl-4-methylpyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-amine perchlorate Traditional Name: [5-[3-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-yl]amine perchlorate Formula: C19H31ClN4O4S MolecularWeight: 446.99184

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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.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C(C)(C)C)CCCC2=NN=C(S2)N)C(C)(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C19H31N4S.ClHO4/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;2-1(3,4)5/h11-12H,8-10H2,1-7H3,(H2,20,22);(H,2,3,4,5)/q+1;/p-1