(2S)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: (2S)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide Openeye Name: (2S)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,3-dihydrobenzofuran-2-carboxamide CAS Name: (2S)-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-2,3-dihydrobenzofuran-2-carboxamide IUPAC Name: (2S)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide Traditional Name: (2S)-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]coumaran-2-carboxamide Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3CC4=CC=CC=C4O3

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)[C@@H]3CC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N2O3/c24-21(20-13-16-5-3-4-8-19(16)26-20)22-14-17-6-1-2-7-18(17)15-23-9-11-25-12-10-23/h1-8,20H,9-15H2,(H,22,24)/p+1/t20-/m0/s1