(1Z)-N-[4-(2-bromanylethanoylamino)phenyl]sulfonyl-2-(trimethylazaniumyl)ethanimidate hydrobromide

Systemtic Name: (1Z)-N-[4-(2-bromanylethanoylamino)phenyl]sulfonyl-2-(trimethylazaniumyl)ethanimidate hydrobromide Openeye Name: (1Z)-N-[4-[(2-bromoacetyl)amino]phenyl]sulfonyl-2-(trimethylammonio)ethanimidate hydrobromide CAS Name: (1Z)-N-[4-[(2-bromo-1-oxoethyl)amino]phenyl]sulfonyl-2-(trimethylammonio)ethanimidate hydrobromide IUPAC Name: (1Z)-N-[4-[(2-bromoacetyl)amino]phenyl]sulfonyl-2-(trimethylazaniumyl)ethanimidate hydrobromide Traditional Name: (1Z)-N-[4-[(2-bromoacetyl)amino]phenyl]sulfonyl-2-(trimethylammonio)acetimidate hydrobromide Formula: C13H19Br2N3O4S MolecularWeight: 473.18066

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(=NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CBr)[O-].Br

Isomeric SMILES

C[N+](C)(C)C/C(=N/S(=O)(=O)C1=CC=C(C=C1)NC(=O)CBr)/[O-].Br

InChI

InChI=1S/C13H18BrN3O4S.BrH/c1-17(2,3)9-13(19)16-22(20,21)11-6-4-10(5-7-11)15-12(18)8-14;/h4-7H,8-9H2,1-3H3,(H-,15,16,18,19);1H