chloromethyl 3-phenylmethoxypropyl carbonate; 1H-1,2,4-triazol-1-ium

Systemtic Name: chloromethyl 3-phenylmethoxypropyl carbonate; 1H-1,2,4-triazol-1-ium Openeye Name: 3-benzyloxypropyl chloromethyl carbonate; 1H-1,2,4-triazol-1-ium CAS Name: carbonic acid chloromethyl 3-phenylmethoxypropyl ester; 1H-1,2,4-triazol-1-ium IUPAC Name: chloromethyl 3-phenylmethoxypropyl carbonate; 1H-1,2,4-triazol-1-ium Traditional Name: carbonic acid 3-benzoxypropyl chloromethyl ester; 1H-1,2,4-triazol-1-ium Formula: C14H19ClN3O4+ MolecularWeight: 328.77136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClO4.C2H3N3/c13-10-17-12(14)16-8-4-7-15-9-11-5-2-1-3-6-11;1-3-2-5-4-1/h1-3,5-6H,4,7-10H2;1-2H,(H,3,4,5)/p+1