1-morpholin-4-ium-4-yl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexane-1-carboxamide

Systemtic Name: 1-morpholin-4-ium-4-yl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexane-1-carboxamide Openeye Name: 1-morpholin-4-ium-4-yl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]cyclohexanecarboxamide CAS Name: 1-(4-morpholin-4-iumyl)-N-[[(2R)-7-(2-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-cyclohexanecarboxamide IUPAC Name: 1-morpholin-4-ium-4-yl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexane-1-carboxamide Traditional Name: 1-morpholin-4-ium-4-yl-N-[[(2R)-7-(2-pyrimidyl)coumaran-2-yl]methyl]cyclohexanecarboxamide Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NCC2CC3=CC=CC(=C3O2)C4=NC=CC=N4)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(C(=O)NC[C@H]2CC3=CC=CC(=C3O2)C4=NC=CC=N4)[NH+]5CCOCC5

InChI

InChI=1S/C24H30N4O3/c29-23(24(8-2-1-3-9-24)28-12-14-30-15-13-28)27-17-19-16-18-6-4-7-20(21(18)31-19)22-25-10-5-11-26-22/h4-7,10-11,19H,1-3,8-9,12-17H2,(H,27,29)/p+1/t19-/m1/s1