6-azanyl-3-(2-dimethylaminoethyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 6-azanyl-3-(2-dimethylaminoethyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 6-amino-3-(2-dimethylaminoethyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one CAS Name: 6-amino-3-(2-dimethylaminoethyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 6-amino-3-(2-dimethylaminoethyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 6-amino-3-(2-dimethylaminoethyl)-2-(trifluoromethyl)-4aH-quinazolin-3-ium-4-one Formula: C13H16F3N4O+ MolecularWeight: 301.28755

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[N+]1=C(N=C2C=CC(=CC2C1=O)N)C(F)(F)F

Isomeric SMILES

CN(C)CC[N+]1=C(N=C2C=CC(=CC2C1=O)N)C(F)(F)F

InChI

InChI=1S/C13H16F3N4O/c1-19(2)5-6-20-11(21)9-7-8(17)3-4-10(9)18-12(20)13(14,15)16/h3-4,7,9H,5-6,17H2,1-2H3/q+1