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

Systemtic Name: 2-[2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]ethanoylamino]ethanoate Openeye Name: 2-[[2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]amino]ethyl]amino]acetate IUPAC Name: 2-[[2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]acetyl]amino]acetate Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3/c23-15(18-10-16(24)25)9-19-17-12-5-1-2-6-13(12)20-14(21-17)11-22-7-3-4-8-22/h1-2,5-6H,3-4,7-11H2,(H,18,23)(H,24,25)(H,19,20,21)