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

Systemtic Name: 5-[3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-[3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[3-(2,4,6-triphenyl-1-pyridin-1-iumyl)propyl]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-yl]amine Formula: C28H25N4S+ MolecularWeight: 449.5899

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCCC4=NN=C(S4)N)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCCC4=NN=C(S4)N)C5=CC=CC=C5

InChI

InChI=1S/C28H25N4S/c29-28-31-30-27(33-28)17-10-18-32-25(22-13-6-2-7-14-22)19-24(21-11-4-1-5-12-21)20-26(32)23-15-8-3-9-16-23/h1-9,11-16,19-20H,10,17-18H2,(H2,29,31)/q+1