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

Systemtic Name: 2-[methyl-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]ethanoate Openeye Name: 2-[methyl-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]acetate CAS Name: 2-[methyl-[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]amino]acetate IUPAC Name: 2-[methyl-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]acetate Traditional Name: 2-[methyl-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]acetate Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)[O-])C1=NC(=NC2=CC=CC=C21)C[NH+]3CCCC3

Isomeric SMILES

CN(CC(=O)[O-])C1=NC(=NC2=CC=CC=C21)C[NH+]3CCCC3

InChI

InChI=1S/C16H20N4O2/c1-19(11-15(21)22)16-12-6-2-3-7-13(12)17-14(18-16)10-20-8-4-5-9-20/h2-3,6-7H,4-5,8-11H2,1H3,(H,21,22)