N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-4-methyl-1,3-thiazole-5-carboxamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-4-methyl-thiazole-5-carboxamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-4-methyl-5-thiazolecarboxamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-4-methyl-thiazole-5-carboxamide Formula: C17H21FN3OS+ MolecularWeight: 334.431543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CC1=C(SC=N1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C17H20FN3OS/c1-12-16(23-11-19-12)17(22)20-14-6-4-8-21(10-14)9-13-5-2-3-7-15(13)18/h2-3,5,7,11,14H,4,6,8-10H2,1H3,(H,20,22)/p+1/t14-/m0/s1