1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)ethanone Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-14-10-15(2)21(16(3)11-14)28(26,27)24-8-6-23(7-9-24)13-20(25)19-12-17(4)22-18(19)5/h10-12,22H,6-9,13H2,1-5H3/p+1