but-2-ynyl-methyl-[[4-(methylsulfonylamino)phenyl]methyl]-prop-2-ynyl-azanium bromide

Systemtic Name: but-2-ynyl-methyl-[[4-(methylsulfonylamino)phenyl]methyl]-prop-2-ynyl-azanium bromide Openeye Name: but-2-ynyl-[[4-(methanesulfonamido)phenyl]methyl]-methyl-prop-2-ynyl-ammonium bromide CAS Name: but-2-ynyl-[[4-(methanesulfonamido)phenyl]methyl]-methyl-prop-2-ynylammonium bromide IUPAC Name: but-2-ynyl-[[4-(methanesulfonamido)phenyl]methyl]-methyl-prop-2-ynylazanium bromide Traditional Name: but-2-ynyl-[4-(methanesulfonamido)benzyl]-methyl-propargyl-ammonium bromide Formula: C16H21BrN2O2S MolecularWeight: 385.31914

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC[N+](C)(CC#C)CC1=CC=C(C=C1)NS(=O)(=O)C.[Br-]

Isomeric SMILES

CC#CC[N+](C)(CC#C)CC1=CC=C(C=C1)NS(=O)(=O)C.[Br-]

InChI

InChI=1S/C16H21N2O2S.BrH/c1-5-7-13-18(3,12-6-2)14-15-8-10-16(11-9-15)17-21(4,19)20;/h2,8-11,17H,12-14H2,1,3-4H3;1H/q+1;/p-1