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

Systemtic Name: 3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]propanoate Openeye Name: 3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]propanoate CAS Name: 3-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]amino]propanoate IUPAC Name: 3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]propanoate Traditional Name: 3-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]propionate Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2/c21-15(22)7-8-17-16-12-5-1-2-6-13(12)18-14(19-16)11-20-9-3-4-10-20/h1-2,5-6H,3-4,7-11H2,(H,21,22)(H,17,18,19)