(7R)-7-(bromomethyloxy)-7-tert-butyl-1-(phenylmethyl)-1,2,4-triazepin-4-ium-6-one

Systemtic Name: (7R)-7-(bromomethyloxy)-7-tert-butyl-1-(phenylmethyl)-1,2,4-triazepin-4-ium-6-one Openeye Name: (7R)-1-benzyl-7-(bromomethoxy)-7-tert-butyl-1,2,4-triazepin-4-ium-6-one CAS Name: (7R)-7-(bromomethoxy)-7-tert-butyl-1-(phenylmethyl)-1,2,4-triazepin-4-ium-6-one IUPAC Name: (7R)-1-benzyl-7-(bromomethoxy)-7-tert-butyl-1,2,4-triazepin-4-ium-6-one Traditional Name: (7R)-1-benzyl-7-(bromomethoxy)-7-tert-butyl-1,2,4-triazepin-4-ium-6-one Formula: C16H21BrN3O2+ MolecularWeight: 367.26084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(C(=O)C=[NH+]C=NN1CC2=CC=CC=C2)OCBr

Isomeric SMILES

CC(C)(C)[C@]1(C(=O)C=[NH+]C=NN1CC2=CC=CC=C2)OCBr

InChI

InChI=1S/C16H20BrN3O2/c1-15(2,3)16(22-11-17)14(21)9-18-12-19-20(16)10-13-7-5-4-6-8-13/h4-9,12H,10-11H2,1-3H3/p+1/t16-/m0/s1