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

Systemtic Name: chloromethyl 2-methylpropanoate; 1H-1,2,4-triazol-1-ium Openeye Name: chloromethyl 2-methylpropanoate; 1H-1,2,4-triazol-1-ium CAS Name: 2-methylpropanoic acid chloromethyl ester; 1H-1,2,4-triazol-1-ium IUPAC Name: chloromethyl 2-methylpropanoate; 1H-1,2,4-triazol-1-ium Traditional Name: 2-methylpropionic acid chloromethyl ester; 1H-1,2,4-triazol-1-ium Formula: C7H13ClN3O2+ MolecularWeight: 206.65002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H9ClO2.C2H3N3/c1-4(2)5(7)8-3-6;1-3-2-5-4-1/h4H,3H2,1-2H3;1-2H,(H,3,4,5)/p+1