1,4-diazabicyclo[2.2.2]octan-3-ylmethyl 5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate

Systemtic Name: 1,4-diazabicyclo[2.2.2]octan-3-ylmethyl 5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate Openeye Name: 1,4-diazabicyclo[2.2.2]octan-3-ylmethyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate CAS Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid 1,4-diazabicyclo[2.2.2]octan-3-ylmethyl ester IUPAC Name: 1,4-diazabicyclo[2.2.2]octan-3-ylmethyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate Traditional Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid 1,4-diazabicyclo[2.2.2]octan-3-ylmethyl ester Formula: C16H20ClN3O4 MolecularWeight: 353.8007

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCN1CC2COC(=O)C3=CC(=C(C4=C3OCCO4)N)Cl

Isomeric SMILES

C1CN2CCN1CC2COC(=O)C3=CC(=C(C4=C3OCCO4)N)Cl

InChI

InChI=1S/C16H20ClN3O4/c17-12-7-11(14-15(13(12)18)23-6-5-22-14)16(21)24-9-10-8-19-1-3-20(10)4-2-19/h7,10H,1-6,8-9,18H2