N-cyclopropyl-2-[4-[[4-fluoranyl-3-(methoxymethyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[[4-fluoranyl-3-(methoxymethyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C20H25FN3O3S+ MolecularWeight: 406.494203

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C20H24FN3O3S/c1-27-12-14-18-15(21)3-2-4-16(18)28-19(14)20(26)24-9-7-23(8-10-24)11-17(25)22-13-5-6-13/h2-4,13H,5-12H2,1H3,(H,22,25)/p+1