4-[[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-[4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2,3-dihydrophthalazin-1-yl]imino]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one Formula: C26H28N5O3S+ MolecularWeight: 490.59722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C3C=CC=CC3=C(NN2)N=C4C=CC(=O)C=C4)S(=O)(=O)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C3C=CC=CC3=C(NN2)N=C4C=CC(=O)C=C4)S(=O)(=O)N5CC[NH+](CC5)C

InChI

InChI=1S/C26H27N5O3S/c1-18-7-8-19(17-24(18)35(33,34)31-15-13-30(2)14-16-31)25-22-5-3-4-6-23(22)26(29-28-25)27-20-9-11-21(32)12-10-20/h3-12,17,28-29H,13-16H2,1-2H3/p+1