2-(2-piperidin-1-ium-1-ylethylcarbamoyl)quinazolin-4-olate

Systemtic Name: 2-(2-piperidin-1-ium-1-ylethylcarbamoyl)quinazolin-4-olate Openeye Name: 2-(2-piperidin-1-ium-1-ylethylcarbamoyl)quinazolin-4-olate CAS Name: 2-[oxo-[2-(1-piperidin-1-iumyl)ethylamino]methyl]-4-quinazolinolate IUPAC Name: 2-(2-piperidin-1-ium-1-ylethylcarbamoyl)quinazolin-4-olate Traditional Name: 2-(2-piperidin-1-ium-1-ylethylcarbamoyl)quinazolin-4-olate Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)C2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)C2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C16H20N4O2/c21-15-12-6-2-3-7-13(12)18-14(19-15)16(22)17-8-11-20-9-4-1-5-10-20/h2-3,6-7H,1,4-5,8-11H2,(H,17,22)(H,18,19,21)