3-fluoranyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-fluoranyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-fluoro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-fluoro-N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-fluoro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-fluoro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H23FN3OS+ MolecularWeight: 372.479523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H22FN3OS/c21-17-6-4-5-16(13-17)19(25)23-20(26)22-18-9-7-15(8-10-18)14-24-11-2-1-3-12-24/h4-10,13H,1-3,11-12,14H2,(H2,22,23,25,26)/p+1