2-(4-fluorophenyl)-4-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

Systemtic Name: 2-(4-fluorophenyl)-4-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide Openeye Name: 2-(4-fluorophenyl)-4-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiazole-5-carboxamide CAS Name: 2-(4-fluorophenyl)-4-methyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5-thiazolecarboxamide IUPAC Name: 2-(4-fluorophenyl)-4-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide Traditional Name: 2-(4-fluorophenyl)-4-methyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiazole-5-carboxamide Formula: C23H25FN3OS+ MolecularWeight: 410.527503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C23H24FN3OS/c1-16-21(29-23(26-16)17-8-10-20(24)11-9-17)22(28)25-14-18-6-2-3-7-19(18)15-27-12-4-5-13-27/h2-3,6-11H,4-5,12-15H2,1H3,(H,25,28)/p+1