2-[(2-fluoranyl-5-methoxy-phenyl)methyl]-1-propyl-piperidin-1-ium-1-carbothioic S-acid

Systemtic Name: 2-[(2-fluoranyl-5-methoxy-phenyl)methyl]-1-propyl-piperidin-1-ium-1-carbothioic S-acid Openeye Name: 2-[(2-fluoro-5-methoxy-phenyl)methyl]-1-propyl-piperidin-1-ium-1-carbothioic S-acid CAS Name: 2-[(2-fluoro-5-methoxyphenyl)methyl]-1-propyl-1-piperidin-1-iumcarbothioic S-acid IUPAC Name: 2-[(2-fluoro-5-methoxyphenyl)methyl]-1-propylpiperidin-1-ium-1-carbothioic S-acid Traditional Name: 2-(2-fluoro-5-methoxy-benzyl)-1-propyl-piperidin-1-ium-1-carbothioic S-acid Formula: C17H25FNO2S+ MolecularWeight: 326.449303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCCCC1CC2=C(C=CC(=C2)OC)F)C(=O)S

Isomeric SMILES

CCC[N+]1(CCCCC1CC2=C(C=CC(=C2)OC)F)C(=O)S

InChI

InChI=1S/C17H24FNO2S/c1-3-9-19(17(20)22)10-5-4-6-14(19)11-13-12-15(21-2)7-8-16(13)18/h7-8,12,14H,3-6,9-11H2,1-2H3/p+1