5-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]isoindole-1,3-dione

Systemtic Name: 5-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]isoindole-1,3-dione Openeye Name: 5-[(1-isopropylpiperidin-1-ium-4-yl)amino]isoindoline-1,3-dione CAS Name: 5-[(1-propan-2-yl-4-piperidin-1-iumyl)amino]isoindole-1,3-dione IUPAC Name: 5-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]isoindole-1,3-dione Traditional Name: 5-[(1-isopropylpiperidin-1-ium-4-yl)amino]isoindoline-1,3-quinone Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC2=CC3=C(C=C2)C(=O)NC3=O

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC2=CC3=C(C=C2)C(=O)NC3=O

InChI

InChI=1S/C16H21N3O2/c1-10(2)19-7-5-11(6-8-19)17-12-3-4-13-14(9-12)16(21)18-15(13)20/h3-4,9-11,17H,5-8H2,1-2H3,(H,18,20,21)/p+1