[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] anthracene-9-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] anthracene-9-carboxylate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C26H24N3O3+ MolecularWeight: 426.48706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C26H23N3O3/c30-24(29-15-13-28(14-16-29)23-11-5-6-12-27-23)18-32-26(31)25-21-9-3-1-7-19(21)17-20-8-2-4-10-22(20)25/h1-12,17H,13-16,18H2/p+1