[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxo-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxoethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-keto-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]ethyl] ester Formula: C22H30N3O8+ MolecularWeight: 464.4889

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)[NH+]4CCOCC4

InChI

InChI=1S/C22H29N3O8/c26-20(23-15-22(4-2-1-3-5-22)24-6-8-30-9-7-24)14-33-21(27)16-12-18-19(32-11-10-31-18)13-17(16)25(28)29/h12-13H,1-11,14-15H2,(H,23,26)/p+1