4-fluoranyl-N-[2-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 4-fluoranyl-N-[2-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]ethyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(3-benzyl-1H-imidazol-3-ium-2-yl)ethyl]-4-fluoro-benzothiophene-2-carboxamide CAS Name: 4-fluoro-N-[2-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(3-benzyl-1H-imidazol-3-ium-2-yl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(3-benzyl-1H-imidazol-3-ium-2-yl)ethyl]-4-fluoro-benzothiophene-2-carboxamide Formula: C21H19FN3OS+ MolecularWeight: 380.458463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC=C2)CCNC(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC=C2)CCNC(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H18FN3OS/c22-17-7-4-8-18-16(17)13-19(27-18)21(26)24-10-9-20-23-11-12-25(20)14-15-5-2-1-3-6-15/h1-8,11-13H,9-10,14H2,(H,24,26)/p+1