2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=C(N(C(=C3)C)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=C(N(C(=C3)C)C)C)C

InChI

InChI=1S/C21H29N3O3S/c1-15-6-7-21(16(2)12-15)28(26,27)24-10-8-23(9-11-24)14-20(25)19-13-17(3)22(5)18(19)4/h6-7,12-13H,8-11,14H2,1-5H3/p+1