6-bromanyl-N-(4-pyrrolidin-1-ium-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: 6-bromanyl-N-(4-pyrrolidin-1-ium-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: 6-bromo-N-(4-pyrrolidin-1-ium-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine CAS Name: 6-bromo-N-[4-(1-pyrrolidin-1-iumyl)butyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: 6-bromo-N-(4-pyrrolidin-1-ium-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [6-bromo-2-(trifluoromethyl)quinazolin-4-yl]-(4-pyrrolidin-1-ium-1-ylbutyl)amine Formula: C17H21BrF3N4+ MolecularWeight: 418.27465

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCCNC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

C1CC[NH+](C1)CCCCNC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C17H20BrF3N4/c18-12-5-6-14-13(11-12)15(24-16(23-14)17(19,20)21)22-7-1-2-8-25-9-3-4-10-25/h5-6,11H,1-4,7-10H2,(H,22,23,24)/p+1