N-[4,5-dimethyl-3-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[4,5-dimethyl-3-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[4,5-dimethyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]-4-fluoro-benzamide CAS Name: N-[4,5-dimethyl-3-(1-pyrrolidin-1-iumylmethyl)-2-thiophenyl]-4-fluorobenzamide IUPAC Name: N-[4,5-dimethyl-3-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]-4-fluorobenzamide Traditional Name: N-[4,5-dimethyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]-4-fluoro-benzamide Formula: C18H22FN2OS+ MolecularWeight: 333.443483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C[NH+]2CCCC2)NC(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(SC(=C1C[NH+]2CCCC2)NC(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C18H21FN2OS/c1-12-13(2)23-18(16(12)11-21-9-3-4-10-21)20-17(22)14-5-7-15(19)8-6-14/h5-8H,3-4,9-11H2,1-2H3,(H,20,22)/p+1