N-(3,5-dimethylphenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H24N3O2S+ MolecularWeight: 358.47776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)C

InChI

InChI=1S/C19H23N3O2S/c1-14-10-15(2)12-16(11-14)20-18(23)13-21-5-7-22(8-6-21)19(24)17-4-3-9-25-17/h3-4,9-12H,5-8,13H2,1-2H3,(H,20,23)/p+1