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

Systemtic Name: 2-[[(E)-[1-(3-phenylpropyl)pyridin-1-ium-4-yl]methylideneamino]oxymethyl]isoindole-1,3-dione Openeye Name: 2-[[(E)-[1-(3-phenylpropyl)pyridin-1-ium-4-yl]methyleneamino]oxymethyl]isoindoline-1,3-dione CAS Name: 2-[[(E)-[1-(3-phenylpropyl)-4-pyridin-1-iumyl]methylideneamino]oxymethyl]isoindole-1,3-dione IUPAC Name: 2-[[(E)-[1-(3-phenylpropyl)pyridin-1-ium-4-yl]methylideneamino]oxymethyl]isoindole-1,3-dione Traditional Name: 2-[[(E)-[1-(3-phenylpropyl)pyridin-1-ium-4-yl]methyleneamino]oxymethyl]isoindoline-1,3-quinone Formula: C24H22N3O3+ MolecularWeight: 400.44978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC[N+]2=CC=C(C=C2)C=NOCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)CCC[N+]2=CC=C(C=C2)/C=N/OCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H22N3O3/c28-23-21-10-4-5-11-22(21)24(29)27(23)18-30-25-17-20-12-15-26(16-13-20)14-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-13,15-17H,6,9,14,18H2/q+1/b25-17+