N-[2-oxidanylidene-2-[[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]amino]ethyl]furan-2-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]amino]ethyl]furan-2-carboxamide Openeye Name: N-[2-oxo-2-[[2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]amino]ethyl]furan-2-carboxamide CAS Name: N-[2-oxo-2-[[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethyl]amino]ethyl]-2-furancarboxamide IUPAC Name: N-[2-oxo-2-[[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]amino]ethyl]furan-2-carboxamide Traditional Name: N-[2-keto-2-[[2-keto-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]amino]ethyl]-2-furamide Formula: C18H23N4O4S+ MolecularWeight: 391.46462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CNC(=O)CNC(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CNC(=O)CNC(=O)C3=CC=CO3

InChI

InChI=1S/C18H22N4O4S/c23-16(10-20-18(25)15-2-1-8-26-15)19-11-17(24)22-6-4-21(5-7-22)12-14-3-9-27-13-14/h1-3,8-9,13H,4-7,10-12H2,(H,19,23)(H,20,25)/p+1