2-[4-[[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]carbamoylamino]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-[[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]carbamoylamino]piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[[(4S)-6-fluorothiochroman-4-yl]carbamoylamino]piperidin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[[[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]amino]-oxomethyl]amino]-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-[4-[[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]carbamoylamino]piperidin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[[(4S)-6-fluorothiochroman-4-yl]carbamoylamino]piperidin-1-ium-1-yl]acetamide Formula: C17H24FN4O2S+ MolecularWeight: 367.461463

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)NC2CCSC3=C2C=C(C=C3)F)CC(=O)N

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)NC3CC[NH+](CC3)CC(=O)N)C=C(C=C2)F

InChI

InChI=1S/C17H23FN4O2S/c18-11-1-2-15-13(9-11)14(5-8-25-15)21-17(24)20-12-3-6-22(7-4-12)10-16(19)23/h1-2,9,12,14H,3-8,10H2,(H2,19,23)(H2,20,21,24)/p+1/t14-/m0/s1