N-[[3-(bromomethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]methyl]butan-1-amine

Systemtic Name: N-[[3-(bromomethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]methyl]butan-1-amine Openeye Name: N-[[3-(bromomethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-yl]methyl]butan-1-amine CAS Name: N-[[3-(bromomethyl)-4-oxido-1-oxo-2-quinoxalin-1-iumyl]methyl]-1-butanamine IUPAC Name: N-[[3-(bromomethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-yl]methyl]butan-1-amine Traditional Name: [3-(bromomethyl)-1-keto-4-oxido-quinoxalin-1-ium-2-yl]methyl-butyl-amine Formula: C14H18BrN3O2 MolecularWeight: 340.21562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CBr

Isomeric SMILES

CCCCNCC1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CBr

InChI

InChI=1S/C14H18BrN3O2/c1-2-3-8-16-10-14-13(9-15)17(19)11-6-4-5-7-12(11)18(14)20/h4-7,16H,2-3,8-10H2,1H3