(2S)-5-chloranyl-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: (2S)-5-chloranyl-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide Openeye Name: (2S)-N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-5-chloro-2,3-dihydrobenzofuran-2-carboxamide CAS Name: (2S)-5-chloro-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2,3-dihydrobenzofuran-2-carboxamide IUPAC Name: (2S)-N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide Traditional Name: (2S)-N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-5-chloro-coumaran-2-carboxamide Formula: C20H22ClN2O2+ MolecularWeight: 357.85388

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2CC3=C(O2)C=CC(=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)[C@@H]2CC3=C(O2)C=CC(=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H21ClN2O2/c21-16-6-7-18-15(10-16)11-19(25-18)20(24)22-17-8-9-23(13-17)12-14-4-2-1-3-5-14/h1-7,10,17,19H,8-9,11-13H2,(H,22,24)/p+1/t17-,19+/m1/s1