4-bromanyl-N-methyl-N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-methyl-N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide Openeye Name: 4-bromo-N-methyl-N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide CAS Name: 4-bromo-N-methyl-N-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]benzenesulfonamide IUPAC Name: 4-bromo-N-methyl-N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide Traditional Name: 4-bromo-N-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-N-methyl-benzenesulfonamide Formula: C18H22BrN4O3S+ MolecularWeight: 454.36128

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H21BrN4O3S/c1-21(27(25,26)16-7-5-15(19)6-8-16)14-18(24)23-12-10-22(11-13-23)17-4-2-3-9-20-17/h2-9H,10-14H2,1H3/p+1