4-fluoranyl-3-methyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 4-fluoranyl-3-methyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-fluoro-3-methyl-benzothiophene-2-carboxamide CAS Name: 4-fluoro-3-methyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-fluoro-3-methyl-benzothiophene-2-carboxamide Formula: C21H22FN2OS+ MolecularWeight: 369.475583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21FN2OS/c1-14-19-17(22)8-5-9-18(19)26-20(14)21(25)23-16-10-11-24(13-16)12-15-6-3-2-4-7-15/h2-9,16H,10-13H2,1H3,(H,23,25)/p+1/t16-/m0/s1