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

Systemtic Name: 2-[(4-phenethylpiperazin-4-ium-1-yl)methyl]phthalazin-1-one Openeye Name: 2-[(4-phenethylpiperazin-4-ium-1-yl)methyl]phthalazin-1-one CAS Name: 2-[(4-phenethyl-1-piperazin-4-iumyl)methyl]-1-phthalazinone IUPAC Name: 2-[(4-phenethylpiperazin-4-ium-1-yl)methyl]phthalazin-1-one Traditional Name: 2-[(4-phenethylpiperazin-4-ium-1-yl)methyl]phthalazin-1-one Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C21H24N4O/c26-21-20-9-5-4-8-19(20)16-22-25(21)17-24-14-12-23(13-15-24)11-10-18-6-2-1-3-7-18/h1-9,16H,10-15,17H2/p+1