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

Systemtic Name: N-cyclohexyl-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-2-ium-1-amine Openeye Name: N-cyclohexyl-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-2-ium-1-amine CAS Name: N-cyclohexyl-4-[4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-phthalazin-2-iumamine IUPAC Name: N-cyclohexyl-4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]phthalazin-2-ium-1-amine Traditional Name: cyclohexyl-[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-2-ium-1-yl]amine Formula: C26H35N5O2S+2 MolecularWeight: 481.6534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)NC4CCCCC4)S(=O)(=O)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)NC4CCCCC4)S(=O)(=O)N5CC[NH+](CC5)C

InChI

InChI=1S/C26H33N5O2S/c1-19-12-13-20(18-24(19)34(32,33)31-16-14-30(2)15-17-31)25-22-10-6-7-11-23(22)26(29-28-25)27-21-8-4-3-5-9-21/h6-7,10-13,18,21H,3-5,8-9,14-17H2,1-2H3,(H,27,29)/p+2