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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=NN=C(S2)CCCN)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)18-21-20-17(23-18)9-6-10-19;2-1(3,4)5/h3-5,7-8,11-12H,6,9-10,19H2,1-2H3;(H,2,3,4,5)/q+1;/p-1