2-[(1-ethylpiperidin-1-ium-1-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(1-ethylpiperidin-1-ium-1-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(1-ethylpiperidin-1-ium-1-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(1-ethyl-1-piperidin-1-iumyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(1-ethylpiperidin-1-ium-1-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(1-ethylpiperidin-1-ium-1-yl)methyl]isoindoline-1,3-quinone Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC[N+]1(CCCCC1)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H21N2O2/c1-2-18(10-6-3-7-11-18)12-17-15(19)13-8-4-5-9-14(13)16(17)20/h4-5,8-9H,2-3,6-7,10-12H2,1H3/q+1