7-chloranyl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]quinazoline

Systemtic Name: 7-chloranyl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]quinazoline Openeye Name: 7-chloro-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]quinazoline CAS Name: 7-chloro-4-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]quinazoline IUPAC Name: 7-chloro-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]quinazoline Traditional Name: 7-chloro-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]quinazoline Formula: C18H16ClF3N5+ MolecularWeight: 394.80135

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C3=NC=NC4=C3C=CC(=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C3=NC=NC4=C3C=CC(=C4)Cl

InChI

InChI=1S/C18H15ClF3N5/c19-13-2-3-14-15(9-13)24-11-25-17(14)27-7-5-26(6-8-27)16-4-1-12(10-23-16)18(20,21)22/h1-4,9-11H,5-8H2/p+1