1-[5-bromanyl-7-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone

Systemtic Name: 1-[5-bromanyl-7-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone Openeye Name: 1-[5-bromo-7-(4-methylpiperazin-4-ium-1-yl)sulfonyl-indolin-1-yl]ethanone CAS Name: 1-[5-bromo-7-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 1-[5-bromo-7-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone Traditional Name: 1-[5-bromo-7-(4-methylpiperazin-4-ium-1-yl)sulfonyl-indolin-1-yl]ethanone Formula: C15H21BrN3O3S+ MolecularWeight: 403.31454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CC[NH+](CC3)C)Br

Isomeric SMILES

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CC[NH+](CC3)C)Br

InChI

InChI=1S/C15H20BrN3O3S/c1-11(20)19-4-3-12-9-13(16)10-14(15(12)19)23(21,22)18-7-5-17(2)6-8-18/h9-10H,3-8H2,1-2H3/p+1