4-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(9H-fluoren-9-yl)-1-piperazin-4-iumyl]-4-oxobutanoate IUPAC Name: 4-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-4-keto-butyrate Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3=CC=CC=C3C4=CC=CC=C24)C(=O)CCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C2C3=CC=CC=C3C4=CC=CC=C24)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C21H22N2O3/c24-19(9-10-20(25)26)22-11-13-23(14-12-22)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,21H,9-14H2,(H,25,26)