7-methoxy-N-(4-pyrrolidin-1-ium-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: 7-methoxy-N-(4-pyrrolidin-1-ium-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: 7-methoxy-N-(4-pyrrolidin-1-ium-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine CAS Name: 7-methoxy-N-[4-(1-pyrrolidin-1-iumyl)butyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: 7-methoxy-N-(4-pyrrolidin-1-ium-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]-(4-pyrrolidin-1-ium-1-ylbutyl)amine Formula: C18H24F3N4O+ MolecularWeight: 369.40457

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NCCCC[NH+]3CCCC3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NCCCC[NH+]3CCCC3

InChI

InChI=1S/C18H23F3N4O/c1-26-13-6-7-14-15(12-13)23-17(18(19,20)21)24-16(14)22-8-2-3-9-25-10-4-5-11-25/h6-7,12H,2-5,8-11H2,1H3,(H,22,23,24)/p+1