2-[[(2R)-oxolan-2-yl]methyl]-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[[(2R)-oxolan-2-yl]methyl]-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[(2R)-2-oxolanyl]methyl]-4-[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-[[(2R)-oxolan-2-yl]methyl]-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-1,3-quinone Formula: C27H29N4O3+ MolecularWeight: 457.54416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC5=CC=CC6=C5N=CC=C6

Isomeric SMILES

C1C[C@@H](OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C27H28N4O3/c32-26-22-9-2-10-23(24(22)27(33)31(26)18-21-8-4-16-34-21)30-14-12-29(13-15-30)17-20-6-1-5-19-7-3-11-28-25(19)20/h1-3,5-7,9-11,21H,4,8,12-18H2/p+1/t21-/m1/s1