3-(4-chlorophenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole

Systemtic Name: 3-(4-chlorophenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Openeye Name: 3-(4-chlorophenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoxazole CAS Name: 3-(4-chlorophenyl)-5-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 3-(4-chlorophenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Traditional Name: 3-(4-chlorophenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoxazole Formula: C19H21ClN4O+2 MolecularWeight: 356.84924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=C(C=C3)Cl)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=C(C=C3)Cl)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H19ClN4O/c20-16-6-4-15(5-7-16)18-13-17(25-22-18)14-23-9-11-24(12-10-23)19-3-1-2-8-21-19/h1-8,13H,9-12,14H2/p+2