[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxo-ethyl] (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [2-[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [2-keto-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]ethyl] ester Formula: C20H28BrN2O5+ MolecularWeight: 456.35072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)C=CC2=CC=C(O2)Br)[NH+]3CCOCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)/C=C/C2=CC=C(O2)Br)[NH+]3CCOCC3

InChI

InChI=1S/C20H27BrN2O5/c21-17-6-4-16(28-17)5-7-19(25)27-14-18(24)22-15-20(8-2-1-3-9-20)23-10-12-26-13-11-23/h4-7H,1-3,8-15H2,(H,22,24)/p+1/b7-5+