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

Systemtic Name: 4-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]benzoate Openeye Name: 4-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]benzoate CAS Name: 4-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]amino]benzoate IUPAC Name: 4-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]benzoate Traditional Name: 4-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]benzoate Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2/c25-20(26)14-7-9-15(10-8-14)21-19-16-5-1-2-6-17(16)22-18(23-19)13-24-11-3-4-12-24/h1-2,5-10H,3-4,11-13H2,(H,25,26)(H,21,22,23)