N-(3-fluorophenyl)-2-[4-(3-methylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-(3-methylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[(3-methyl-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H21FN3O2S+ MolecularWeight: 362.441643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C18H20FN3O2S/c1-13-5-10-25-17(13)18(24)22-8-6-21(7-9-22)12-16(23)20-15-4-2-3-14(19)11-15/h2-5,10-11H,6-9,12H2,1H3,(H,20,23)/p+1