5-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-1-ium-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-1-ium-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-1-ium-2-yl]-N-(3-furylmethyl)thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-iumyl]-N-(3-furanylmethyl)-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-1-ium-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-(2-fluorobenzyl)pyrrolidin-1-ium-2-yl]-N-(3-furfuryl)thiophene-2-carboxamide Formula: C21H22FN2O2S+ MolecularWeight: 385.474983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC=CC=C2F)C3=CC=C(S3)C(=O)NCC4=COC=C4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=CC=CC=C2F)C3=CC=C(S3)C(=O)NCC4=COC=C4

InChI

InChI=1S/C21H21FN2O2S/c22-17-5-2-1-4-16(17)13-24-10-3-6-18(24)19-7-8-20(27-19)21(25)23-12-15-9-11-26-14-15/h1-2,4-5,7-9,11,14,18H,3,6,10,12-13H2,(H,23,25)/p+1/t18-/m0/s1