N-(4-fluorophenyl)-2-[4-[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[4-(5-methyl-2-thienyl)-4-oxo-butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[4-(5-methyl-2-thiophenyl)-1,4-dioxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[4-keto-4-(5-methyl-2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H25FN3O3S+ MolecularWeight: 418.504903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O3S/c1-15-2-8-19(29-15)18(26)7-9-21(28)25-12-10-24(11-13-25)14-20(27)23-17-5-3-16(22)4-6-17/h2-6,8H,7,9-14H2,1H3,(H,23,27)/p+1