2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]quinazolin-4-olate

Systemtic Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]quinazolin-4-olate Openeye Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]quinazolin-4-olate CAS Name: 2-[[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-oxomethyl]-4-quinazolinolate IUPAC Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]quinazolin-4-olate Traditional Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]quinazolin-4-olate Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C16H20N4O2/c1-2-20-9-5-6-11(20)10-17-16(22)14-18-13-8-4-3-7-12(13)15(21)19-14/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,22)(H,18,19,21)/t11-/m0/s1