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

Systemtic Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one Openeye Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one CAS Name: 4-methyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one Traditional Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one Formula: C20H23N4O+ MolecularWeight: 335.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O/c1-16-18-9-5-6-10-19(18)20(25)24(21-16)15-22-11-13-23(14-12-22)17-7-3-2-4-8-17/h2-10H,11-15H2,1H3/p+1