2-[(2S)-1-[(5-fluoranyl-2-methoxy-phenyl)methyl]pyrrolidin-1-ium-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2S)-1-[(5-fluoranyl-2-methoxy-phenyl)methyl]pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2S)-1-[(5-fluoro-2-methoxy-phenyl)methyl]pyrrolidin-1-ium-2-yl]-1,3-benzothiazole CAS Name: 2-[(2S)-1-[(5-fluoro-2-methoxyphenyl)methyl]-2-pyrrolidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[(2S)-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2S)-1-(5-fluoro-2-methoxy-benzyl)pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Formula: C19H20FN2OS+ MolecularWeight: 343.438303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19FN2OS/c1-23-17-9-8-14(20)11-13(17)12-22-10-4-6-16(22)19-21-15-5-2-3-7-18(15)24-19/h2-3,5,7-9,11,16H,4,6,10,12H2,1H3/p+1/t16-/m0/s1