5-[[(3S)-3-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-1-(3-methoxypropyl)-2-methylsulfonyl-imidazole

Systemtic Name: 5-[[(3S)-3-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-1-(3-methoxypropyl)-2-methylsulfonyl-imidazole Openeye Name: 5-[[(3S)-3-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-1-(3-methoxypropyl)-2-methylsulfonyl-imidazole CAS Name: 5-[[(3S)-3-(4-fluorophenyl)-1-pyrrolidin-1-iumyl]methyl]-1-(3-methoxypropyl)-2-methylsulfonylimidazole IUPAC Name: 5-[[(3S)-3-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-1-(3-methoxypropyl)-2-methylsulfonylimidazole Traditional Name: 5-[[(3S)-3-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-2-mesyl-1-(3-methoxypropyl)imidazole Formula: C19H27FN3O3S+ MolecularWeight: 396.499383

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC(C2)C3=CC=C(C=C3)F

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CC[C@H](C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H26FN3O3S/c1-26-11-3-9-23-18(12-21-19(23)27(2,24)25)14-22-10-8-16(13-22)15-4-6-17(20)7-5-15/h4-7,12,16H,3,8-11,13-14H2,1-2H3/p+1/t16-/m1/s1