(2S,4S)-3-(4-fluorophenyl)carbonyl-N-(2-piperidin-1-ium-1-ylethyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide

Systemtic Name: (2S,4S)-3-(4-fluorophenyl)carbonyl-N-(2-piperidin-1-ium-1-ylethyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide Openeye Name: (2S,4S)-3-(4-fluorobenzoyl)-2-isopropyl-N-(2-piperidin-1-ium-1-ylethyl)thiazolidine-4-carboxamide CAS Name: (2S,4S)-3-[(4-fluorophenyl)-oxomethyl]-N-[2-(1-piperidin-1-iumyl)ethyl]-2-propan-2-yl-4-thiazolidinecarboxamide IUPAC Name: (2S,4S)-3-(4-fluorobenzoyl)-N-(2-piperidin-1-ium-1-ylethyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide Traditional Name: (2S,4S)-3-(4-fluorobenzoyl)-2-isopropyl-N-(2-piperidin-1-ium-1-ylethyl)thiazolidine-4-carboxamide Formula: C21H31FN3O2S+ MolecularWeight: 408.553143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1N(C(CS1)C(=O)NCC[NH+]2CCCCC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)[C@H]1N([C@H](CS1)C(=O)NCC[NH+]2CCCCC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H30FN3O2S/c1-15(2)21-25(20(27)16-6-8-17(22)9-7-16)18(14-28-21)19(26)23-10-13-24-11-4-3-5-12-24/h6-9,15,18,21H,3-5,10-14H2,1-2H3,(H,23,26)/p+1/t18-,21+/m1/s1