3-(4-methylpiperazin-4-ium-1-yl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)pyridazine

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)pyridazine Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)pyridazine CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)-6-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]pyridazine IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazine Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)-6-(4-methyl-3-pyrrolidinosulfonyl-phenyl)pyridazine Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C=C2)N3CC[NH+](CC3)C)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C=C2)N3CC[NH+](CC3)C)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H27N5O2S/c1-16-5-6-17(15-19(16)28(26,27)25-9-3-4-10-25)18-7-8-20(22-21-18)24-13-11-23(2)12-14-24/h5-8,15H,3-4,9-14H2,1-2H3/p+1