4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2H-phthalazin-1-one Openeye Name: 4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2H-phthalazin-1-one CAS Name: 4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2H-phthalazin-1-one IUPAC Name: 4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2H-phthalazin-1-one Traditional Name: 4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2H-phthalazin-1-one Formula: C19H21N4O+ MolecularWeight: 321.39624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NNC(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NNC(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C19H20N4O/c24-19-17-9-5-4-8-16(17)18(20-21-19)14-22-10-12-23(13-11-22)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,24)/p+1