1-(4-fluorophenyl)-5-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1,2,4-triazole-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-5-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1,2,4-triazole-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-5-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-1,2,4-triazole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-5-methyl-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-1,2,4-triazole-3-carboxamide IUPAC Name: 1-(4-fluorophenyl)-5-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1,2,4-triazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-5-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-1,2,4-triazole-3-carboxamide Formula: C20H23FN5OS+ MolecularWeight: 400.492923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NCC(C3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C20H22FN5OS/c1-14-23-19(24-26(14)16-8-6-15(21)7-9-16)20(27)22-13-17(18-5-4-12-28-18)25-10-2-3-11-25/h4-9,12,17H,2-3,10-11,13H2,1H3,(H,22,27)/p+1/t17-/m0/s1