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

Systemtic Name: 3-[5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine Openeye Name: 3-[5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine CAS Name: 3-[5-(2,4,6-triphenyl-1-pyridin-1-iumyl)-1,3,4-thiadiazol-2-yl]-1-propanamine IUPAC Name: 3-[5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine Traditional Name: 3-[5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]propylamine 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)C4=NN=C(S4)CCCN)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H25N4S/c29-18-10-17-27-30-31-28(33-27)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,10,17-18,29H2/q+1