2-methyl-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-one Openeye Name: 2-methyl-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-one CAS Name: 2-methyl-4-[4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-one Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H24N4O3S/c1-15-8-9-16(14-19(15)29(27,28)25-12-10-23(2)11-13-25)20-17-6-4-5-7-18(17)21(26)24(3)22-20/h4-9,14H,10-13H2,1-3H3/p+1