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

Systemtic Name: 1-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-4-piperidin-1-yl-phthalazin-3-ium Openeye Name: 1-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-4-(1-piperidyl)phthalazin-3-ium CAS Name: 1-[4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-4-(1-piperidinyl)phthalazin-3-ium IUPAC Name: 1-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-piperidin-1-ylphthalazin-3-ium Traditional Name: 1-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-4-piperidino-phthalazin-3-ium Formula: C25H33N5O2S+2 MolecularWeight: 467.62682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)N4CCCCC4)S(=O)(=O)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)N4CCCCC4)S(=O)(=O)N5CC[NH+](CC5)C

InChI

InChI=1S/C25H31N5O2S/c1-19-10-11-20(18-23(19)33(31,32)30-16-14-28(2)15-17-30)24-21-8-4-5-9-22(21)25(27-26-24)29-12-6-3-7-13-29/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3/p+2