2-[1-(1-methylpiperidin-1-ium-1-yl)propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(1-methylpiperidin-1-ium-1-yl)propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-methyl-2-(1-methylpiperidin-1-ium-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[1-(1-methyl-1-piperidin-1-iumyl)propan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(1-methylpiperidin-1-ium-1-yl)propan-2-yl]isoindole-1,3-dione Traditional Name: 2-[1-methyl-2-(1-methylpiperidin-1-ium-1-yl)ethyl]isoindoline-1,3-quinone Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1(CCCCC1)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C[N+]1(CCCCC1)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H23N2O2/c1-13(12-19(2)10-6-3-7-11-19)18-16(20)14-8-4-5-9-15(14)17(18)21/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3/q+1