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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=NN=C(S2)CCN)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=NN=C(S2)CCN)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)17-20-19-16(22-17)8-9-18/h3-7,10-11H,8-9,18H2,1-2H3/q+1