1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,6-dimethyl-phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,6-dimethyl-phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,6-dimethyl-phenyl]pyrrolidin-2-one CAS Name: 1-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2,6-dimethylphenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,6-dimethylphenyl]pyrrolidin-2-one Traditional Name: 1-[2,6-dimethyl-4-(4-piperonylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-pyrrolidone Formula: C24H30N3O5S+ MolecularWeight: 472.5771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2CCCC2=O)C)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=CC(=C1N2CCCC2=O)C)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H29N3O5S/c1-17-12-20(13-18(2)24(17)27-7-3-4-23(27)28)33(29,30)26-10-8-25(9-11-26)15-19-5-6-21-22(14-19)32-16-31-21/h5-6,12-14H,3-4,7-11,15-16H2,1-2H3/p+1