4-chloranyl-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]benzoate

Systemtic Name: 4-chloranyl-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]benzoate Openeye Name: 4-chloro-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]benzoate CAS Name: 4-chloro-3-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]amino]benzoate IUPAC Name: 4-chloro-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]benzoate Formula: C20H19ClN4O2 MolecularWeight: 382.84346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NC4=C(C=CC(=C4)C(=O)[O-])Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NC4=C(C=CC(=C4)C(=O)[O-])Cl

InChI

InChI=1S/C20H19ClN4O2/c21-15-8-7-13(20(26)27)11-17(15)23-19-14-5-1-2-6-16(14)22-18(24-19)12-25-9-3-4-10-25/h1-2,5-8,11H,3-4,9-10,12H2,(H,26,27)(H,22,23,24)