(3aR,7aS)-2-oxidanidyl-1-phenylmethoxy-3a,4,5,6,7,7a-hexahydrobenzotriazol-2-ium

Systemtic Name: (3aR,7aS)-2-oxidanidyl-1-phenylmethoxy-3a,4,5,6,7,7a-hexahydrobenzotriazol-2-ium Openeye Name: (3aR,7aS)-1-benzyloxy-2-oxido-3a,4,5,6,7,7a-hexahydrobenzotriazol-2-ium CAS Name: (3aR,7aS)-2-oxido-1-phenylmethoxy-3a,4,5,6,7,7a-hexahydrobenzotriazol-2-ium IUPAC Name: (3aR,7aS)-2-oxido-1-phenylmethoxy-3a,4,5,6,7,7a-hexahydrobenzotriazol-2-ium Traditional Name: (3aR,7aS)-1-benzoxy-2-oxido-3a,4,5,6,7,7a-hexahydrobenzotriazol-2-ium Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)N=[N+](N2OCC3=CC=CC=C3)[O-]

Isomeric SMILES

C1CC[C@H]2[C@@H](C1)N=[N+](N2OCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C13H17N3O2/c17-16-14-12-8-4-5-9-13(12)15(16)18-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2/t12-,13+/m1/s1