N-[4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-2-cyano-ethanamide

Systemtic Name: N-[4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-2-cyano-ethanamide Openeye Name: N-[4-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-2-cyano-acetamide CAS Name: N-[4-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-cyanoacetamide IUPAC Name: N-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-2-cyanoacetamide Traditional Name: N-[4-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-2-cyano-acetamide Formula: C19H20ClN4O2S+ MolecularWeight: 403.9057

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C19H19ClN4O2S/c20-17-6-5-16(27-17)13-23-9-11-24(12-10-23)19(26)14-1-3-15(4-2-14)22-18(25)7-8-21/h1-6H,7,9-13H2,(H,22,25)/p+1