N-[5-ethyl-3-(2-methoxyphenyl)carbonyl-thiophen-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[5-ethyl-3-(2-methoxyphenyl)carbonyl-thiophen-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[5-ethyl-3-(2-methoxybenzoyl)-2-thienyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[5-ethyl-3-[(2-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[5-ethyl-3-(2-methoxybenzoyl)thiophen-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-ethyl-3-o-anisoyl-2-thienyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C26H29FN3O3S+ MolecularWeight: 482.590163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C26H28FN3O3S/c1-3-20-16-22(25(32)21-6-4-5-7-23(21)33-2)26(34-20)28-24(31)17-29-12-14-30(15-13-29)19-10-8-18(27)9-11-19/h4-11,16H,3,12-15,17H2,1-2H3,(H,28,31)/p+1