N-[[(2R)-5-chloranyl-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexane-1-carboxamide

Systemtic Name: N-[[(2R)-5-chloranyl-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexane-1-carboxamide Openeye Name: N-[[(2R)-5-chloro-7-pyrimidin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexanecarboxamide CAS Name: N-[[(2R)-5-chloro-7-(2-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-(4-morpholin-4-iumyl)-1-cyclohexanecarboxamide IUPAC Name: N-[[(2R)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-morpholin-4-ium-4-ylcyclohexane-1-carboxamide Traditional Name: N-[[(2R)-5-chloro-7-(2-pyrimidyl)coumaran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexanecarboxamide Formula: C24H30ClN4O3+ MolecularWeight: 457.973

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NCC2CC3=C(O2)C(=CC(=C3)Cl)C4=NC=CC=N4)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)Cl)C4=NC=CC=N4)[NH+]5CCOCC5

InChI

InChI=1S/C24H29ClN4O3/c25-18-13-17-14-19(32-21(17)20(15-18)22-26-7-4-8-27-22)16-28-23(30)24(5-2-1-3-6-24)29-9-11-31-12-10-29/h4,7-8,13,15,19H,1-3,5-6,9-12,14,16H2,(H,28,30)/p+1/t19-/m1/s1