4-[(2-fluoranyl-5-methoxy-phenyl)methyl]-1-propyl-piperidin-1-ium-1-carbothioic S-acid

Systemtic Name: 4-[(2-fluoranyl-5-methoxy-phenyl)methyl]-1-propyl-piperidin-1-ium-1-carbothioic S-acid Openeye Name: 4-[(2-fluoro-5-methoxy-phenyl)methyl]-1-propyl-piperidin-1-ium-1-carbothioic S-acid CAS Name: 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-propyl-1-piperidin-1-iumcarbothioic S-acid IUPAC Name: 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-propylpiperidin-1-ium-1-carbothioic S-acid Traditional Name: 4-(2-fluoro-5-methoxy-benzyl)-1-propyl-piperidin-1-ium-1-carbothioic S-acid Formula: C17H25FNO2S+ MolecularWeight: 326.449303

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(CC1)CC2=C(C=CC(=C2)OC)F)C(=O)S

Isomeric SMILES

CCC[N+]1(CCC(CC1)CC2=C(C=CC(=C2)OC)F)C(=O)S

InChI

InChI=1S/C17H24FNO2S/c1-3-8-19(17(20)22)9-6-13(7-10-19)11-14-12-15(21-2)4-5-16(14)18/h4-5,12-13H,3,6-11H2,1-2H3/p+1