6-chloranyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2H-chromene-3-carboxamide

Systemtic Name: 6-chloranyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2H-chromene-3-carboxamide Openeye Name: 6-chloro-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2H-chromene-3-carboxamide CAS Name: 6-chloro-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2H-1-benzopyran-3-carboxamide IUPAC Name: 6-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2H-chromene-3-carboxamide Traditional Name: 6-chloro-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2H-chromene-3-carboxamide Formula: C20H22ClN2O3+ MolecularWeight: 373.85328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2)C4=CC=CO4

InChI

InChI=1S/C20H21ClN2O3/c21-16-5-6-18-14(11-16)10-15(13-26-18)20(24)22-12-17(19-4-3-9-25-19)23-7-1-2-8-23/h3-6,9-11,17H,1-2,7-8,12-13H2,(H,22,24)/p+1/t17-/m0/s1