N,N-diethyl-3-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N,N-diethyl-3-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N,N-diethyl-3-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N,N-diethyl-3-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N,N-diethyl-3-[[2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C22H28N4O4/c1-3-25(4-2)21(28)17-7-5-8-18(15-17)23-20(27)16-24-10-12-26(13-11-24)22(29)19-9-6-14-30-19/h5-9,14-15H,3-4,10-13,16H2,1-2H3,(H,23,27)/p+1