2-[4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-1-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]butyl]isoindoline-1,3-quinone Formula: C25H32N3O4+ MolecularWeight: 438.53928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCN2CC[NH+](CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)OCCN2CC[NH+](CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H31N3O4/c1-31-20-8-10-21(11-9-20)32-19-18-27-16-14-26(15-17-27)12-4-5-13-28-24(29)22-6-2-3-7-23(22)25(28)30/h2-3,6-11H,4-5,12-19H2,1H3/p+1