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

Systemtic Name: 2-[5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethanamine Openeye Name: 2-[5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethanamine CAS Name: 2-[5-(2,6-ditert-butyl-4-methyl-1-pyridin-1-iumyl)-1,3,4-thiadiazol-2-yl]ethanamine IUPAC Name: 2-[5-(2,6-ditert-butyl-4-methylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethanamine Traditional Name: 2-[5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethylamine Formula: C18H29N4S+ MolecularWeight: 333.51466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C(C)(C)C)C2=NN=C(S2)CCN)C(C)(C)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C(C)(C)C)C2=NN=C(S2)CCN)C(C)(C)C

InChI

InChI=1S/C18H29N4S/c1-12-10-13(17(2,3)4)22(14(11-12)18(5,6)7)16-21-20-15(23-16)8-9-19/h10-11H,8-9,19H2,1-7H3/q+1