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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(S3)CC)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(S3)CC)C

InChI

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