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

Systemtic Name: 3-[5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine perchlorate Openeye Name: 3-[5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine perchlorate CAS Name: 3-[5-(2,6-ditert-butyl-4-methyl-1-pyridin-1-iumyl)-1,3,4-thiadiazol-2-yl]-1-propanamine perchlorate IUPAC Name: 3-[5-(2,6-ditert-butyl-4-methylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine perchlorate Traditional Name: 3-[5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]propylamine 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)C2=NN=C(S2)CCCN)C(C)(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C(C)(C)C)C2=NN=C(S2)CCCN)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)17-22-21-16(24-17)9-8-10-20;2-1(3,4)5/h11-12H,8-10,20H2,1-7H3;(H,2,3,4,5)/q+1;/p-1