3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Openeye Name: 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide CAS Name: 3-acetamido-4-[(4-fluorophenyl)thio]-N-[3-(1-piperidin-1-iumyl)propyl]benzamide IUPAC Name: 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Traditional Name: 3-acetamido-4-[(4-fluorophenyl)thio]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Formula: C23H29FN3O2S+ MolecularWeight: 430.558663

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)NCCC[NH+]2CCCCC2)SC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)NCCC[NH+]2CCCCC2)SC3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O2S/c1-17(28)26-21-16-18(6-11-22(21)30-20-9-7-19(24)8-10-20)23(29)25-12-5-15-27-13-3-2-4-14-27/h6-11,16H,2-5,12-15H2,1H3,(H,25,29)(H,26,28)/p+1