2-[(Z)-4-[4-(piperidin-1-ium-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]isoindole-1,3-dione

Systemtic Name: 2-[(Z)-4-[4-(piperidin-1-ium-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]isoindole-1,3-dione Openeye Name: 2-[(Z)-4-[[4-(piperidin-1-ium-1-ylmethyl)-2-pyridyl]oxy]but-2-enyl]isoindoline-1,3-dione CAS Name: 2-[(Z)-4-[[4-(1-piperidin-1-iumylmethyl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione IUPAC Name: 2-[(Z)-4-[4-(piperidin-1-ium-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]isoindole-1,3-dione Traditional Name: 2-[(Z)-4-[[4-(piperidin-1-ium-1-ylmethyl)-2-pyridyl]oxy]but-2-enyl]isoindoline-1,3-quinone Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC(=NC=C2)OCC=CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC(=NC=C2)OC/C=C\CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O3/c27-22-19-8-2-3-9-20(19)23(28)26(22)14-6-7-15-29-21-16-18(10-11-24-21)17-25-12-4-1-5-13-25/h2-3,6-11,16H,1,4-5,12-15,17H2/p+1/b7-6-