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

Systemtic Name: 4-[4-[1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate Openeye Name: 4-[4-[1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate CAS Name: 4-[4-[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumyl]phenolate IUPAC Name: 4-[4-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate Traditional Name: 4-[4-[2,5-diketo-1-(4-methoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=C(C=C4)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=C(C=C4)[O-]

InChI

InChI=1S/C21H23N3O4/c1-28-18-8-4-16(5-9-18)24-20(26)14-19(21(24)27)23-12-10-22(11-13-23)15-2-6-17(25)7-3-15/h2-9,19,25H,10-14H2,1H3