[(1R)-1-methyl-1-[2-oxidanylidene-2-(pyrazin-2-ylamino)ethyl]piperidin-1-ium-3-yl] 9-oxidanylfluorene-9-carboxylate

Systemtic Name: [(1R)-1-methyl-1-[2-oxidanylidene-2-(pyrazin-2-ylamino)ethyl]piperidin-1-ium-3-yl] 9-oxidanylfluorene-9-carboxylate Openeye Name: [(1R)-1-methyl-1-[2-oxo-2-(pyrazin-2-ylamino)ethyl]piperidin-1-ium-3-yl] 9-hydroxyfluorene-9-carboxylate CAS Name: 9-hydroxy-9-fluorenecarboxylic acid [(1R)-1-methyl-1-[2-oxo-2-(2-pyrazinylamino)ethyl]-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-[2-oxo-2-(pyrazin-2-ylamino)ethyl]piperidin-1-ium-3-yl] 9-hydroxyfluorene-9-carboxylate Traditional Name: 9-hydroxyfluorene-9-carboxylic acid [(1R)-1-[2-keto-2-(pyrazin-2-ylamino)ethyl]-1-methyl-piperidin-1-ium-3-yl] ester Formula: C26H27N4O4+ MolecularWeight: 459.51698

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)O)CC(=O)NC5=NC=CN=C5

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)O)CC(=O)NC5=NC=CN=C5

InChI

InChI=1S/C26H26N4O4/c1-30(17-24(31)29-23-15-27-12-13-28-23)14-6-7-18(16-30)34-25(32)26(33)21-10-4-2-8-19(21)20-9-3-5-11-22(20)26/h2-5,8-13,15,18,33H,6-7,14,16-17H2,1H3/p+1/t18?,30-/m1/s1