N-[4,5-dimethyl-3-(phenylcarbonyl)thiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4,5-dimethyl-3-(phenylcarbonyl)thiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-benzoyl-4,5-dimethyl-2-thienyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-benzoyl-4,5-dimethyl-2-thiophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-benzoyl-4,5-dimethylthiophen-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-benzoyl-4,5-dimethyl-2-thienyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C25H28N3O2S+ MolecularWeight: 434.57372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H27N3O2S/c1-18-19(2)31-25(23(18)24(30)20-9-5-3-6-10-20)26-22(29)17-27-13-15-28(16-14-27)21-11-7-4-8-12-21/h3-12H,13-17H2,1-2H3,(H,26,29)/p+1