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

Systemtic Name: 2-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-o-phenetylpiperazin-1-ium-1-yl)ethyl]isoindoline-1,3-quinone Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H25N3O3/c1-2-28-20-10-6-5-9-19(20)24-14-11-23(12-15-24)13-16-25-21(26)17-7-3-4-8-18(17)22(25)27/h3-10H,2,11-16H2,1H3/p+1