N-(furan-2-ylmethyl)-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(2-furylmethyl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N-(2-furanylmethyl)-2-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-(furan-2-ylmethyl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-(2-furfuryl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C23H27N5O3+2 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H25N5O3/c29-22(17-27-11-13-28(14-12-27)21-9-3-4-10-24-21)26-20-8-2-1-7-19(20)23(30)25-16-18-6-5-15-31-18/h1-10,15H,11-14,16-17H2,(H,25,30)(H,26,29)/p+2