3-[1,4-bis(oxidanylidene)phthalazin-2-ium-2-yl]-N-pentyl-propanamide

Systemtic Name: 3-[1,4-bis(oxidanylidene)phthalazin-2-ium-2-yl]-N-pentyl-propanamide Openeye Name: 3-(1,4-dioxophthalazin-2-ium-2-yl)-N-pentyl-propanamide CAS Name: 3-(1,4-dioxo-2-phthalazin-2-iumyl)-N-pentylpropanamide IUPAC Name: 3-(1,4-dioxophthalazin-2-ium-2-yl)-N-pentylpropanamide Traditional Name: N-amyl-3-(1,4-diketophthalazin-2-ium-2-yl)propionamide Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CC[N+]1=NC(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCCNC(=O)CC[N+]1=NC(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C16H19N3O3/c1-2-3-6-10-17-14(20)9-11-19-16(22)13-8-5-4-7-12(13)15(21)18-19/h4-5,7-8H,2-3,6,9-11H2,1H3/p+1