[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxo-ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [2-[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [2-keto-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]ethyl] ester Formula: C24H33N2O6+ MolecularWeight: 445.52862

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NCC3(CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NCC3(CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C24H32N2O6/c1-29-15-19-18-7-3-4-8-20(18)32-22(19)23(28)31-16-21(27)25-17-24(9-5-2-6-10-24)26-11-13-30-14-12-26/h3-4,7-8H,2,5-6,9-17H2,1H3,(H,25,27)/p+1