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

Systemtic Name: 5-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 5-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]oxazole CAS Name: 5-phenyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 5-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 5-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]oxazole Formula: C19H22N4O+2 MolecularWeight: 322.40418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H20N4O/c1-2-6-16(7-3-1)17-14-21-19(24-17)15-22-10-12-23(13-11-22)18-8-4-5-9-20-18/h1-9,14H,10-13,15H2/p+2