2-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]ethyl 2-cyclopenta-1,4-dien-1-ylethanoate

Systemtic Name: 2-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]ethyl 2-cyclopenta-1,4-dien-1-ylethanoate Openeye Name: 2-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]ethyl 2-cyclopenta-1,4-dien-1-ylacetate CAS Name: 2-(1-cyclopenta-1,4-dienyl)acetic acid 2-[4-(1-phenyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]ethyl ester IUPAC Name: 2-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]ethyl 2-cyclopenta-1,4-dien-1-ylacetate Traditional Name: 2-cyclopenta-1,4-dien-1-ylacetic acid 2-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]ethyl ester Formula: C25H24N2O2+2 MolecularWeight: 384.47026

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=C1)CC(=O)OCC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C=CC(=C1)CC(=O)OCC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O2/c28-25(20-21-6-4-5-7-21)29-19-18-26-14-10-22(11-15-26)23-12-16-27(17-13-23)24-8-2-1-3-9-24/h1-4,6-17H,5,18-20H2/q+2