N-[3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]ethanamide

Systemtic Name: N-[3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]ethanamide Openeye Name: N-[3-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]acetamide CAS Name: N-[3-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]acetamide IUPAC Name: N-[3-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]acetamide Traditional Name: N-[3-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]acetamide Formula: C18H21ClN3O2S+ MolecularWeight: 378.89624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

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