4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(3-piperidin-1-ium-1-ylpropyl)butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(3-piperidin-1-ium-1-ylpropyl)butanamide Openeye Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(3-piperidin-1-ium-1-ylpropyl)butanamide CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-[3-(1-piperidin-1-iumyl)propyl]butanamide IUPAC Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(3-piperidin-1-ium-1-ylpropyl)butanamide Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)-N-(3-piperidin-1-ium-1-ylpropyl)butyramide Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C24H29N3O3/c28-21(25-13-7-16-26-14-2-1-3-15-26)12-6-17-27-23(29)19-10-4-8-18-9-5-11-20(22(18)19)24(27)30/h4-5,8-11H,1-3,6-7,12-17H2,(H,25,28)/p+1