(2-bromophenyl)methyl-methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: (2-bromophenyl)methyl-methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: (2-bromophenyl)methyl-methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]ammonium CAS Name: (2-bromophenyl)methyl-methyl-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]ammonium IUPAC Name: (2-bromophenyl)methyl-methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]azanium Traditional Name: (2-bromobenzyl)-[2-keto-2-(4-mesylpiperazino)ethyl]-methyl-ammonium Formula: C15H23BrN3O3S+ MolecularWeight: 405.33042

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1Br)CC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

C[NH+](CC1=CC=CC=C1Br)CC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C15H22BrN3O3S/c1-17(11-13-5-3-4-6-14(13)16)12-15(20)18-7-9-19(10-8-18)23(2,21)22/h3-6H,7-12H2,1-2H3/p+1