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

Systemtic Name: 4-[4-[1-(3-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate Openeye Name: 4-[4-[1-(m-tolyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate CAS Name: 4-[4-[1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumyl]phenolate IUPAC Name: 4-[4-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate Traditional Name: 4-[4-[2,5-diketo-1-(m-tolyl)pyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=C(C=C4)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=C(C=C4)[O-]

InChI

InChI=1S/C21H23N3O3/c1-15-3-2-4-17(13-15)24-20(26)14-19(21(24)27)23-11-9-22(10-12-23)16-5-7-18(25)8-6-16/h2-8,13,19,25H,9-12,14H2,1H3