6,7-Dihydro-2-(2,4,6-trimethylphenyl)-5H-pyrrolo[2,1-c]-1,2,4-triazolium Perchlorate

Catalog Number	ACM1334529086-1
CAS	1334529-08-6
Synonyms	2-(2,4,6-Trimethyl-phenyl)-2,5,6,7-tetrahydro-pyrrolo[2,1-c][1,2,4]triazol-4-ylium perchlorate
IUPAC Name	2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium;perchlorate
Molecular Weight	327.76
Molecular Formula	C14H18ClN3O4
Canonical SMILES	CC1=CC(=C(C(=C1)C)N2C=[N+]3CCCC3=N2)C.[O-]Cl(=O)(=O)=O;
InChI	LWDOZOIYYGPFSI-UHFFFAOYSA-M
InChI Key	InChI=1S/C14H18N3.ClHO4/c1-10-7-11(2)14(12(3)8-10)17-9-16-6-4-5-13(16)15-17;2-1(3,4)5/h7-9H,4-6H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
Melting Point	202 °C
Purity	98%+
Complexity	365
Covalently-Bonded Unit Count	2
Exact Mass	327.099g/mol
Heavy Atom Count	22
Isomeric SMILES	CC1=CC(=C(C(=C1)C)N2C=[N+]3CCCC3=N2)C.[O-]Cl(=O)(=O)=O
Monoisotopic Mass	327.099g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	96A^2