1,3-dimethyl-4-[(1R)-1-phenylethyl]-1,2,4-triazol-4-ium perchlorate

Systemtic Name: 1,3-dimethyl-4-[(1R)-1-phenylethyl]-1,2,4-triazol-4-ium perchlorate Openeye Name: 1,3-dimethyl-4-[(1R)-1-phenylethyl]-1,2,4-triazol-4-ium perchlorate CAS Name: 1,3-dimethyl-4-[(1R)-1-phenylethyl]-1,2,4-triazol-4-ium perchlorate IUPAC Name: 1,3-dimethyl-4-[(1R)-1-phenylethyl]-1,2,4-triazol-4-ium perchlorate Traditional Name: 1,3-dimethyl-4-[(1R)-1-phenylethyl]-1,2,4-triazol-4-ium perchlorate Formula: C12H16ClN3O4 MolecularWeight: 301.72614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(C=[N+]1[C@H](C)C2=CC=CC=C2)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H16N3.ClHO4/c1-10(12-7-5-4-6-8-12)15-9-14(3)13-11(15)2;2-1(3,4)5/h4-10H,1-3H3;(H,2,3,4,5)/q+1;/p-1/t10-;/m1./s1