(2R)-1-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]pyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]pyrrolidine-2-carboxylate Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N4CCCC4C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N4CCC[C@@H]4C(=O)[O-]

InChI

InChI=1S/C18H22N4O2/c23-18(24)15-8-5-11-22(15)17-13-6-1-2-7-14(13)19-16(20-17)12-21-9-3-4-10-21/h1-2,6-7,15H,3-5,8-12H2,(H,23,24)/t15-/m1/s1