[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [5-(4-chlorophenyl)-2-furyl]methyl-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [5-(4-chlorophenyl)-2-furanyl]methyl-methyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [5-(4-chlorophenyl)-2-furyl]methyl-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-methyl-ammonium Formula: C23H27ClN4O2+2 MolecularWeight: 426.93908

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(O1)C2=CC=C(C=C2)Cl)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[NH+](CC1=CC=C(O1)C2=CC=C(C=C2)Cl)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H25ClN4O2/c1-26(16-20-9-10-21(30-20)18-5-7-19(24)8-6-18)17-23(29)28-14-12-27(13-15-28)22-4-2-3-11-25-22/h2-11H,12-17H2,1H3/p+2