N-[4-chloranyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]furan-2-carboxamide

Systemtic Name: N-[4-chloranyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]furan-2-carboxamide Openeye Name: N-[4-chloro-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]phenyl]furan-2-carboxamide CAS Name: N-[4-chloro-2-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-chloro-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-chloro-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-furamide Formula: C18H21ClN3O4+ MolecularWeight: 378.83004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CO3

InChI

InChI=1S/C18H20ClN3O4/c19-13-3-4-15(20-17(24)16-2-1-11-26-16)14(12-13)18(25)22-7-5-21(6-8-22)9-10-23/h1-4,11-12,23H,5-10H2,(H,20,24)/p+1