methyl 2-[4-[2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[4-[2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-4-ium-1-yl]-2-oxo-acetate CAS Name: 2-[4-[2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl]-1-piperazin-4-iumyl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-4-ium-1-yl]-2-oxoacetate Traditional Name: 2-[4-[2-(1,3-diketobenzo[de]isoquinolin-2-yl)ethyl]piperazin-4-ium-1-yl]-2-keto-acetic acid methyl ester Formula: C21H22N3O5+ MolecularWeight: 396.41648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)N1CC[NH+](CC1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

COC(=O)C(=O)N1CC[NH+](CC1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C21H21N3O5/c1-29-21(28)20(27)23-11-8-22(9-12-23)10-13-24-18(25)15-6-2-4-14-5-3-7-16(17(14)15)19(24)26/h2-7H,8-13H2,1H3/p+1