4-[4-(9H-fluoren-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione

Systemtic Name: 4-[4-(9H-fluoren-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione Openeye Name: 4-[4-(9H-fluoren-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3-methoxypropyl)isoindoline-1,3-dione CAS Name: 4-[4-(9H-fluoren-2-ylmethyl)-1-piperazin-4-iumyl]-2-(3-methoxypropyl)isoindole-1,3-dione IUPAC Name: 4-[4-(9H-fluoren-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione Traditional Name: 4-[4-(9H-fluoren-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3-methoxypropyl)isoindoline-1,3-quinone Formula: C30H32N3O3+ MolecularWeight: 482.59338

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C(=CC=C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)C6=CC=CC=C6C5

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C(=CC=C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)C6=CC=CC=C6C5

InChI

InChI=1S/C30H31N3O3/c1-36-17-5-12-33-29(34)26-8-4-9-27(28(26)30(33)35)32-15-13-31(14-16-32)20-21-10-11-25-23(18-21)19-22-6-2-3-7-24(22)25/h2-4,6-11,18H,5,12-17,19-20H2,1H3/p+1