(2S)-1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(3-fluoro-4-methoxy-phenyl)methyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N-phenyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N-phenylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-(3-fluoro-4-methoxy-benzyl)-N-phenyl-pyrrolidin-1-ium-2-carboxamide Formula: C19H22FN2O2+ MolecularWeight: 329.388583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCC2C(=O)NC3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC[C@H]2C(=O)NC3=CC=CC=C3)F

InChI

InChI=1S/C19H21FN2O2/c1-24-18-10-9-14(12-16(18)20)13-22-11-5-8-17(22)19(23)21-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3,(H,21,23)/p+1/t17-/m0/s1