6-chloranyl-3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]quinazolin-4-one

Systemtic Name: 6-chloranyl-3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]quinazolin-4-one Openeye Name: 6-chloro-3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]quinazolin-4-one CAS Name: 6-chloro-3-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]-4-quinazolinone IUPAC Name: 6-chloro-3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]quinazolin-4-one Traditional Name: 6-chloro-3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]quinazolin-4-one Formula: C19H19ClF3N5O+2 MolecularWeight: 425.83527

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NC3=C(C2=O)C=C(C=C3)Cl)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NC3=C(C2=O)C=C(C=C3)Cl)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H17ClF3N5O/c20-14-2-3-16-15(9-14)18(29)28(11-25-16)12-26-5-7-27(8-6-26)17-4-1-13(10-24-17)19(21,22)23/h1-4,9-11H,5-8,12H2/p+2