[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 9,10-bis(oxidanylidene)anthracene-1-carboxylate

Systemtic Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 9,10-bis(oxidanylidene)anthracene-1-carboxylate Openeye Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxo-ethyl] 9,10-dioxoanthracene-1-carboxylate CAS Name: 9,10-dioxo-1-anthracenecarboxylic acid [2-[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate Traditional Name: 9,10-diketoanthracene-1-carboxylic acid [2-keto-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]ethyl] ester Formula: C28H31N2O6+ MolecularWeight: 491.55554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)[NH+]5CCOCC5

InChI

InChI=1S/C28H30N2O6/c31-23(29-18-28(11-4-1-5-12-28)30-13-15-35-16-14-30)17-36-27(34)22-10-6-9-21-24(22)26(33)20-8-3-2-7-19(20)25(21)32/h2-3,6-10H,1,4-5,11-18H2,(H,29,31)/p+1