N-(2,3-dimethylphenyl)-2-[4-(5-ethyl-4-methyl-thiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(5-ethyl-4-methyl-thiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(5-ethyl-4-methyl-thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(5-ethyl-4-methyl-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(5-ethyl-4-methyl-thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C)C

InChI

InChI=1S/C22H29N3O2S/c1-5-19-16(3)13-20(28-19)22(27)25-11-9-24(10-12-25)14-21(26)23-18-8-6-7-15(2)17(18)4/h6-8,13H,5,9-12,14H2,1-4H3,(H,23,26)/p+1