2-[[(2R)-oxolan-2-yl]methyl]-4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[[(2R)-oxolan-2-yl]methyl]-4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[(2R)-2-oxolanyl]methyl]-4-[4-(3-phenylpropyl)-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-[[(2R)-oxolan-2-yl]methyl]-4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-1,3-quinone Formula: C26H32N3O3+ MolecularWeight: 434.55058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CCCC5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CCCC5=CC=CC=C5

InChI

InChI=1S/C26H31N3O3/c30-25-22-11-4-12-23(24(22)26(31)29(25)19-21-10-6-18-32-21)28-16-14-27(15-17-28)13-5-9-20-7-2-1-3-8-20/h1-4,7-8,11-12,21H,5-6,9-10,13-19H2/p+1/t21-/m1/s1