N-[5-methyl-3-(4-methylphenyl)carbonyl-thiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-methyl-3-(4-methylphenyl)carbonyl-thiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-methyl-3-(4-methylbenzoyl)-2-thienyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[5-methyl-3-[(4-methylphenyl)-oxomethyl]-2-thiophenyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[5-methyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-methyl-3-p-toluoyl-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=CC=C(C=C1)C(=O)C2=C(SC(=C2)C)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(SC(=C2)C)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

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