(2S)-1-[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[2-[2-(dimethylammonio)ethyl]quinazolin-4-yl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-[2-(dimethylammonio)ethyl]-4-quinazolinyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[2-(dimethylammonio)ethyl]quinazolin-4-yl]pyrrolidine-2-carboxylate Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC1=NC2=CC=CC=C2C(=N1)N3CCCC3C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCC1=NC2=CC=CC=C2C(=N1)N3CCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C17H22N4O2/c1-20(2)11-9-15-18-13-7-4-3-6-12(13)16(19-15)21-10-5-8-14(21)17(22)23/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,22,23)/t14-/m0/s1