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

Systemtic Name: (2R)-2-phenyl-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]ethanoate Openeye Name: (2R)-2-phenyl-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]acetate CAS Name: (2R)-2-phenyl-2-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]amino]acetate IUPAC Name: (2R)-2-phenyl-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]acetate Traditional Name: (2R)-2-phenyl-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]acetate Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2/c26-21(27)19(15-8-2-1-3-9-15)24-20-16-10-4-5-11-17(16)22-18(23-20)14-25-12-6-7-13-25/h1-5,8-11,19H,6-7,12-14H2,(H,26,27)(H,22,23,24)/t19-/m1/s1