5-[2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-[2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[2-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)ethyl]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)ethyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]amine Formula: C17H19N4S+ MolecularWeight: 311.42456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CCC2=NN=C(S2)N)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=[N+]1CCC2=NN=C(S2)N)C)C3=CC=CC=C3

InChI

InChI=1S/C17H19N4S/c1-12-10-15(14-6-4-3-5-7-14)11-13(2)21(12)9-8-16-19-20-17(18)22-16/h3-7,10-11H,8-9H2,1-2H3,(H2,18,20)/q+1