2-[[(E)-[1-(3-oxidanylpropyl)pyridin-1-ium-4-yl]methylideneamino]oxymethyl]isoindole-1,3-dione

Systemtic Name: 2-[[(E)-[1-(3-oxidanylpropyl)pyridin-1-ium-4-yl]methylideneamino]oxymethyl]isoindole-1,3-dione Openeye Name: 2-[[(E)-[1-(3-hydroxypropyl)pyridin-1-ium-4-yl]methyleneamino]oxymethyl]isoindoline-1,3-dione CAS Name: 2-[[(E)-[1-(3-hydroxypropyl)-4-pyridin-1-iumyl]methylideneamino]oxymethyl]isoindole-1,3-dione IUPAC Name: 2-[[(E)-[1-(3-hydroxypropyl)pyridin-1-ium-4-yl]methylideneamino]oxymethyl]isoindole-1,3-dione Traditional Name: 2-[[(E)-[1-(3-hydroxypropyl)pyridin-1-ium-4-yl]methyleneamino]oxymethyl]isoindoline-1,3-quinone Formula: C18H18N3O4+ MolecularWeight: 340.35322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CON=CC3=CC=[N+](C=C3)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CO/N=C/C3=CC=[N+](C=C3)CCCO

InChI

InChI=1S/C18H18N3O4/c22-11-3-8-20-9-6-14(7-10-20)12-19-25-13-21-17(23)15-4-1-2-5-16(15)18(21)24/h1-2,4-7,9-10,12,22H,3,8,11,13H2/q+1/b19-12+