[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 1,2-dihydroacenaphthylene-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 1,2-dihydroacenaphthylene-5-carboxylate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 1,2-dihydroacenaphthylene-5-carboxylate CAS Name: 1,2-dihydroacenaphthylene-5-carboxylic 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] 1,2-dihydroacenaphthylene-5-carboxylate Traditional Name: acenaphthene-5-carboxylic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C24H24N3O3+ MolecularWeight: 402.46566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)OCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)OCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H23N3O3/c28-22(27-14-12-26(13-15-27)21-6-1-2-11-25-21)16-30-24(29)20-10-9-18-8-7-17-4-3-5-19(20)23(17)18/h1-6,9-11H,7-8,12-16H2/p+1