(2S)-5-chloranyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: (2S)-5-chloranyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide Openeye Name: (2S)-5-chloro-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2,3-dihydrobenzofuran-2-carboxamide CAS Name: (2S)-5-chloro-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-2,3-dihydrobenzofuran-2-carboxamide IUPAC Name: (2S)-5-chloro-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide Traditional Name: (2S)-5-chloro-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]coumaran-2-carboxamide Formula: C20H28ClN2O3+ MolecularWeight: 379.90092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2CC3=C(O2)C=CC(=C3)Cl)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)[C@@H]2CC3=C(O2)C=CC(=C3)Cl)[NH+]4CCOCC4

InChI

InChI=1S/C20H27ClN2O3/c21-16-4-5-17-15(12-16)13-18(26-17)19(24)22-14-20(6-2-1-3-7-20)23-8-10-25-11-9-23/h4-5,12,18H,1-3,6-11,13-14H2,(H,22,24)/p+1/t18-/m0/s1