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

Systemtic Name: (2S)-3-phenyl-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]propanoate Openeye Name: (2S)-3-phenyl-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]propanoate CAS Name: (2S)-3-phenyl-2-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]amino]propanoate IUPAC Name: (2S)-3-phenyl-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]propionate Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NC(CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N[C@@H](CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C22H24N4O2/c27-22(28)19(14-16-8-2-1-3-9-16)24-21-17-10-4-5-11-18(17)23-20(25-21)15-26-12-6-7-13-26/h1-5,8-11,19H,6-7,12-15H2,(H,27,28)(H,23,24,25)/t19-/m0/s1