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

Systemtic Name: N-[5-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-2-methyl-phenyl]furan-2-carboxamide Openeye Name: N-[5-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-phenyl]furan-2-carboxamide CAS Name: N-[5-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-methylphenyl]-2-furancarboxamide IUPAC Name: N-[5-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]-2-methylphenyl]furan-2-carboxamide Traditional Name: N-[5-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-phenyl]-2-furamide Formula: C22H23ClN3O3S+ MolecularWeight: 444.95432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H22ClN3O3S/c1-15-4-5-16(13-18(15)24-21(27)19-3-2-12-29-19)22(28)26-10-8-25(9-11-26)14-17-6-7-20(23)30-17/h2-7,12-13H,8-11,14H2,1H3,(H,24,27)/p+1