(2S)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide

Systemtic Name: (2S)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide Openeye Name: (2S)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydrobenzo[e]benzofuran-2-carboxamide CAS Name: (2S)-N-[3-(4-morpholin-4-iumyl)propyl]-1,2-dihydrobenzo[e]benzofuran-2-carboxamide IUPAC Name: (2S)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide Traditional Name: (2S)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydrobenzo[e]benzofuran-2-carboxamide Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2CC3=C(O2)C=CC4=CC=CC=C34

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)[C@@H]2CC3=C(O2)C=CC4=CC=CC=C34

InChI

InChI=1S/C20H24N2O3/c23-20(21-8-3-9-22-10-12-24-13-11-22)19-14-17-16-5-2-1-4-15(16)6-7-18(17)25-19/h1-2,4-7,19H,3,8-14H2,(H,21,23)/p+1/t19-/m0/s1