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

Systemtic Name: 2-[5-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethanamine perchlorate Openeye Name: 2-[5-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethanamine perchlorate CAS Name: 2-[5-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)-1,3,4-thiadiazol-2-yl]ethanamine perchlorate IUPAC Name: 2-[5-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethanamine perchlorate Traditional Name: 2-[5-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethylamine perchlorate Formula: C17H19ClN4O4S MolecularWeight: 410.87516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N4S.ClHO4/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;2-1(3,4)5/h3-7,10-11H,8-9,18H2,1-2H3;(H,2,3,4,5)/q+1;/p-1