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

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)butanamide Openeye Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)butanamide CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-[3-(1-pyrrolidin-1-iumyl)propyl]butanamide IUPAC Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)butanamide Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)butyramide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C23H27N3O3/c27-20(24-12-6-15-25-13-1-2-14-25)11-5-16-26-22(28)18-9-3-7-17-8-4-10-19(21(17)18)23(26)29/h3-4,7-10H,1-2,5-6,11-16H2,(H,24,27)/p+1