bis(furan-2-ylmethyl)-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: bis(furan-2-ylmethyl)-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: bis(2-furylmethyl)-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: bis(2-furanylmethyl)-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: bis(furan-2-ylmethyl)-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: bis(2-furfuryl)-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C21H26N4O3+2 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C[NH+](CC3=CC=CO3)CC4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C[NH+](CC3=CC=CO3)CC4=CC=CO4

InChI

InChI=1S/C21H24N4O3/c26-21(25-11-9-24(10-12-25)20-7-1-2-8-22-20)17-23(15-18-5-3-13-27-18)16-19-6-4-14-28-19/h1-8,13-14H,9-12,15-17H2/p+2