4-chloranyl-7-[1-(trifluoromethyl)piperidin-1-ium-1-yl]quinazoline

Systemtic Name: 4-chloranyl-7-[1-(trifluoromethyl)piperidin-1-ium-1-yl]quinazoline Openeye Name: 4-chloro-7-[1-(trifluoromethyl)piperidin-1-ium-1-yl]quinazoline CAS Name: 4-chloro-7-[1-(trifluoromethyl)-1-piperidin-1-iumyl]quinazoline IUPAC Name: 4-chloro-7-[1-(trifluoromethyl)piperidin-1-ium-1-yl]quinazoline Traditional Name: 4-chloro-7-[1-(trifluoromethyl)piperidin-1-ium-1-yl]quinazoline Formula: C14H14ClF3N3+ MolecularWeight: 316.72927

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(C2=CC3=C(C=C2)C(=NC=N3)Cl)C(F)(F)F

Isomeric SMILES

C1CC[N+](CC1)(C2=CC3=C(C=C2)C(=NC=N3)Cl)C(F)(F)F

InChI

InChI=1S/C14H14ClF3N3/c15-13-11-5-4-10(8-12(11)19-9-20-13)21(14(16,17)18)6-2-1-3-7-21/h4-5,8-9H,1-3,6-7H2/q+1