2-[5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethanamine

Systemtic Name: 2-[5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethanamine Openeye Name: 2-[5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethanamine CAS Name: 2-[5-(2,4,6-triphenyl-1-pyridin-1-iumyl)-1,3,4-thiadiazol-2-yl]ethanamine IUPAC Name: 2-[5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethanamine Traditional Name: 2-[5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethylamine Formula: C27H23N4S+ MolecularWeight: 435.56332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=NN=C(S4)CCN)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=NN=C(S4)CCN)C5=CC=CC=C5

InChI

InChI=1S/C27H23N4S/c28-17-16-26-29-30-27(32-26)31-24(21-12-6-2-7-13-21)18-23(20-10-4-1-5-11-20)19-25(31)22-14-8-3-9-15-22/h1-15,18-19H,16-17,28H2/q+1