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

Systemtic Name: 4-(4-bromophenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one Openeye Name: 4-(4-bromophenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one CAS Name: 4-(4-bromophenyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-phthalazinone IUPAC Name: 4-(4-bromophenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one Traditional Name: 4-(4-bromophenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one Formula: C25H24BrN4O+ MolecularWeight: 476.38826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C25H23BrN4O/c26-20-12-10-19(11-13-20)24-22-8-4-5-9-23(22)25(31)30(27-24)18-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-13H,14-18H2/p+1