2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonylquinazolin-4-olate

Systemtic Name: 2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonylquinazolin-4-olate Openeye Name: 2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]quinazolin-4-olate CAS Name: 2-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]-oxomethyl]-4-quinazolinolate IUPAC Name: 2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]quinazolin-4-olate Traditional Name: 2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]quinazolin-4-olate Formula: C16H18N3O2- MolecularWeight: 284.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=NC3=CC=CC=C3C(=N2)[O-])C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C(=O)C2=NC3=CC=CC=C3C(=N2)[O-])C

InChI

InChI=1S/C16H19N3O2/c1-10-7-11(2)9-19(8-10)16(21)14-17-13-6-4-3-5-12(13)15(20)18-14/h3-6,10-11H,7-9H2,1-2H3,(H,17,18,20)/p-1/t10-,11+