1-[5-bromanyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one

Systemtic Name: 1-[5-bromanyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one Openeye Name: 1-[5-bromo-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-indolin-1-yl]propan-1-one CAS Name: 1-[5-bromo-7-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-2,3-dihydroindol-1-yl]-1-propanone IUPAC Name: 1-[5-bromo-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one Traditional Name: 1-[5-bromo-7-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-indolin-1-yl]propan-1-one Formula: C20H24BrN4O3S+ MolecularWeight: 480.39856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)Br

Isomeric SMILES

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)Br

InChI

InChI=1S/C20H23BrN4O3S/c1-2-19(26)25-8-6-15-13-16(21)14-17(20(15)25)29(27,28)24-11-9-23(10-12-24)18-5-3-4-7-22-18/h3-5,7,13-14H,2,6,8-12H2,1H3/p+1