2-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiazole-4-carboxamide CAS Name: 2-(4-fluorophenyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-thiazolecarboxamide IUPAC Name: 2-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-(4-fluorophenyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiazole-4-carboxamide Formula: C22H23FN3OS+ MolecularWeight: 396.500923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CSC(=N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CSC(=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3OS/c23-19-9-7-16(8-10-19)22-25-20(15-28-22)21(27)24-13-17-5-1-2-6-18(17)14-26-11-3-4-12-26/h1-2,5-10,15H,3-4,11-14H2,(H,24,27)/p+1