3-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]-N-(2-methylpropyl)benzenesulfonamide

Systemtic Name: 3-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]-N-(2-methylpropyl)benzenesulfonamide Openeye Name: N-isobutyl-3-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]benzenesulfonamide CAS Name: 3-methyl-4-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethoxy]-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: 3-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]-N-(2-methylpropyl)benzenesulfonamide Traditional Name: N-isobutyl-4-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethoxy]-3-methyl-benzenesulfonamide Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C)C)OCC(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C)C)OCC(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C18H29N3O4S/c1-14(2)12-19-26(23,24)16-5-6-17(15(3)11-16)25-13-18(22)21-9-7-20(4)8-10-21/h5-6,11,14,19H,7-10,12-13H2,1-4H3/p+1