6,7-dimethoxy-N-(4-pyrrolidin-1-ium-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: 6,7-dimethoxy-N-(4-pyrrolidin-1-ium-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: 6,7-dimethoxy-N-(4-pyrrolidin-1-ium-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine CAS Name: 6,7-dimethoxy-N-[4-(1-pyrrolidin-1-iumyl)butyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: 6,7-dimethoxy-N-(4-pyrrolidin-1-ium-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]-(4-pyrrolidin-1-ium-1-ylbutyl)amine Formula: C19H26F3N4O2+ MolecularWeight: 399.43055

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCCCC[NH+]3CCCC3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCCCC[NH+]3CCCC3)OC

InChI

InChI=1S/C19H25F3N4O2/c1-27-15-11-13-14(12-16(15)28-2)24-18(19(20,21)22)25-17(13)23-7-3-4-8-26-9-5-6-10-26/h11-12H,3-10H2,1-2H3,(H,23,24,25)/p+1