chloromethyl 2,2-dimethylpropanoate; 1H-1,2,4-triazol-1-ium

Systemtic Name: chloromethyl 2,2-dimethylpropanoate; 1H-1,2,4-triazol-1-ium Openeye Name: chloromethyl 2,2-dimethylpropanoate; 1H-1,2,4-triazol-1-ium CAS Name: 2,2-dimethylpropanoic acid chloromethyl ester; 1H-1,2,4-triazol-1-ium IUPAC Name: chloromethyl 2,2-dimethylpropanoate; 1H-1,2,4-triazol-1-ium Traditional Name: 2,2-dimethylpropionic acid chloromethyl ester; 1H-1,2,4-triazol-1-ium Formula: C8H15ClN3O2+ MolecularWeight: 220.6766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCl.C1=NC=N[NH2+]1

Isomeric SMILES

CC(C)(C)C(=O)OCCl.C1=NC=N[NH2+]1

InChI

InChI=1S/C6H11ClO2.C2H3N3/c1-6(2,3)5(8)9-4-7;1-3-2-5-4-1/h4H2,1-3H3;1-2H,(H,3,4,5)/p+1