N-tert-butyl-2-[4-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[[1-(3-fluorophenyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[[1-(3-fluorophenyl)imidazol-2-yl]thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H29FN5O2S+ MolecularWeight: 434.550663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)F

InChI

InChI=1S/C21H28FN5O2S/c1-21(2,3)24-18(28)14-25-9-11-26(12-10-25)19(29)15-30-20-23-7-8-27(20)17-6-4-5-16(22)13-17/h4-8,13H,9-12,14-15H2,1-3H3,(H,24,28)/p+1