2-fluoranyl-N-[3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: 2-fluoro-N-[3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: 2-fluoro-N-[3-(1-pyrrolidin-1-iumylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: 2-fluoro-N-[3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: 2-fluoro-N-[3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C20H24FN2OS+ MolecularWeight: 359.480763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3F)C[NH+]4CCCC4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3F)C[NH+]4CCCC4

InChI

InChI=1S/C20H23FN2OS/c21-17-9-3-1-8-15(17)19(24)22-20-16(13-23-11-5-6-12-23)14-7-2-4-10-18(14)25-20/h1,3,8-9H,2,4-7,10-13H2,(H,22,24)/p+1