(1-methylpiperidin-1-ium-4-yl) 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)butyric acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

C[NH+]1CCC(CC1)OC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C22H24N2O4/c1-23-13-10-16(11-14-23)28-19(25)9-4-12-24-21(26)17-7-2-5-15-6-3-8-18(20(15)17)22(24)27/h2-3,5-8,16H,4,9-14H2,1H3/p+1