2-[(3S)-piperidin-1-ium-3-yl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[(3S)-piperidin-1-ium-3-yl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[(3S)-piperidin-1-ium-3-yl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[(3S)-3-piperidin-1-iumyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[(3S)-piperidin-1-ium-3-yl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[(3S)-piperidin-1-ium-3-yl]benzo[de]isoquinoline-1,3-quinone Formula: C17H17N2O2+ MolecularWeight: 281.32908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C17H16N2O2/c20-16-13-7-1-4-11-5-2-8-14(15(11)13)17(21)19(16)12-6-3-9-18-10-12/h1-2,4-5,7-8,12,18H,3,6,9-10H2/p+1/t12-/m0/s1