N-(4-butylphenyl)-2-phthalazin-2-ium-2-yl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-phthalazin-2-ium-2-yl-ethanamide Openeye Name: N-(4-butylphenyl)-2-phthalazin-2-ium-2-yl-acetamide CAS Name: N-(4-butylphenyl)-2-(2-phthalazin-2-iumyl)acetamide IUPAC Name: N-(4-butylphenyl)-2-phthalazin-2-ium-2-ylacetamide Traditional Name: N-(4-butylphenyl)-2-phthalazin-2-ium-2-yl-acetamide Formula: C20H22N3O+ MolecularWeight: 320.40818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=N2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=N2

InChI

InChI=1S/C20H21N3O/c1-2-3-6-16-9-11-19(12-10-16)22-20(24)15-23-14-18-8-5-4-7-17(18)13-21-23/h4-5,7-14H,2-3,6,15H2,1H3/p+1