N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-2-methylsulfanyl-thiazole-4-carboxamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N-methyl-2-(methylthio)-4-thiazolecarboxamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-N-methyl-2-(methylthio)thiazole-4-carboxamide Formula: C18H23FN3OS2+ MolecularWeight: 380.523123

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)C3=CSC(=N3)SC

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)C3=CSC(=N3)SC

InChI

InChI=1S/C18H22FN3OS2/c1-21(17(23)16-12-25-18(20-16)24-2)14-7-5-9-22(11-14)10-13-6-3-4-8-15(13)19/h3-4,6,8,12,14H,5,7,9-11H2,1-2H3/p+1/t14-/m0/s1