but-2-ynyl-[2-methoxy-1-[3-(methylsulfonylamino)phenyl]ethyl]-methyl-prop-2-enyl-azanium bromide

Systemtic Name: but-2-ynyl-[2-methoxy-1-[3-(methylsulfonylamino)phenyl]ethyl]-methyl-prop-2-enyl-azanium bromide Openeye Name: allyl-but-2-ynyl-[1-[3-(methanesulfonamido)phenyl]-2-methoxy-ethyl]-methyl-ammonium bromide CAS Name: but-2-ynyl-[1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enylammonium bromide IUPAC Name: but-2-ynyl-[1-[3-(methanesulfonamido)phenyl]-2-methoxyethyl]-methyl-prop-2-enylazanium bromide Traditional Name: allyl-but-2-ynyl-[1-[3-(methanesulfonamido)phenyl]-2-methoxy-ethyl]-methyl-ammonium bromide Formula: C18H27BrN2O3S MolecularWeight: 431.38758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N2O3S.BrH/c1-6-8-13-20(3,12-7-2)18(15-23-4)16-10-9-11-17(14-16)19-24(5,21)22;/h7,9-11,14,18-19H,2,12-13,15H2,1,3-5H3;1H/q+1;/p-1