2-[4-(5-chloranylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C18H21ClN3O2S+ MolecularWeight: 378.89624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H20ClN3O2S/c1-13-2-4-14(5-3-13)20-17(23)12-21-8-10-22(11-9-21)18(24)15-6-7-16(19)25-15/h2-7H,8-12H2,1H3,(H,20,23)/p+1