2-[4-[1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate

Systemtic Name: 2-[4-[1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate Openeye Name: 2-[4-[1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate CAS Name: 2-[4-[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumyl]phenolate IUPAC Name: 2-[4-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate Traditional Name: 2-[4-(2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl)piperazin-4-ium-1-yl]phenolate Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4[O-]

InChI

InChI=1S/C22H25N3O4/c1-2-29-17-9-7-16(8-10-17)25-21(27)15-19(22(25)28)24-13-11-23(12-14-24)18-5-3-4-6-20(18)26/h3-10,19,26H,2,11-15H2,1H3