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

Systemtic Name: 5-[3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-amine perchlorate Openeye Name: 5-[3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-amine perchlorate CAS Name: 5-[3-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)propyl]-1,3,4-thiadiazol-2-amine perchlorate IUPAC Name: 5-[3-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-amine perchlorate Traditional Name: [5-[3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)propyl]-1,3,4-thiadiazol-2-yl]amine perchlorate Formula: C18H21ClN4O4S MolecularWeight: 424.90174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CCCC2=NN=C(S2)N)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC(=[N+]1CCCC2=NN=C(S2)N)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H21N4S.ClHO4/c1-13-11-16(15-7-4-3-5-8-15)12-14(2)22(13)10-6-9-17-20-21-18(19)23-17;2-1(3,4)5/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H2,19,21);(H,2,3,4,5)/q+1;/p-1