2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-methyl-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]acetamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-16-8-13-27-20(16)14-22(3)21(26)15-23-9-11-24(12-10-23)19-6-4-18(5-7-19)17(2)25/h4-8,13H,9-12,14-15H2,1-3H3/p+1