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

Systemtic Name: N-[4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]furan-2-carboxamide Openeye Name: N-[4-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-2-furamide Formula: C21H21ClN3O3S+ MolecularWeight: 430.92774

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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)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H20ClN3O3S/c22-19-8-7-17(29-19)14-24-9-11-25(12-10-24)21(27)15-3-5-16(6-4-15)23-20(26)18-2-1-13-28-18/h1-8,13H,9-12,14H2,(H,23,26)/p+1