1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-mesylpiperazin-1-ium-1-yl)ethanone Formula: C16H28N3O3S+ MolecularWeight: 342.47682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H27N3O3S/c1-12(2)19-13(3)10-15(14(19)4)16(20)11-17-6-8-18(9-7-17)23(5,21)22/h10,12H,6-9,11H2,1-5H3/p+1