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

Systemtic Name: 2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]azaniumyl]ethanoate Openeye Name: 2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]ammonio]acetate CAS Name: 2-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]ammonio]acetate IUPAC Name: 2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]azaniumyl]acetate Traditional Name: 2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]ammonio]acetate Formula: C15H19N4O2+ MolecularWeight: 287.33696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)[NH2+]CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)[NH2+]CC(=O)[O-]

InChI

InChI=1S/C15H18N4O2/c20-14(21)9-16-15-11-5-1-2-6-12(11)17-13(18-15)10-19-7-3-4-8-19/h1-2,5-6H,3-4,7-10H2,(H,20,21)(H,16,17,18)/p+1