3-[(2S)-piperidin-1-ium-2-yl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[(2S)-piperidin-1-ium-2-yl]-1H-quinazoline-2,4-dione Openeye Name: 3-[(2S)-piperidin-1-ium-2-yl]-1H-quinazoline-2,4-dione CAS Name: 3-[(2S)-2-piperidin-1-iumyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[(2S)-piperidin-1-ium-2-yl]-1H-quinazoline-2,4-dione Traditional Name: 3-[(2S)-piperidin-1-ium-2-yl]-1H-quinazoline-2,4-quinone Formula: C13H16N3O2+ MolecularWeight: 246.28504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]C(C1)N2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

C1CC[NH2+][C@H](C1)N2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C13H15N3O2/c17-12-9-5-1-2-6-10(9)15-13(18)16(12)11-7-3-4-8-14-11/h1-2,5-6,11,14H,3-4,7-8H2,(H,15,18)/p+1/t11-/m0/s1