N-[[6-bromanyl-3-(diethylaminomethyl)-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl]-N-ethyl-ethanamine

Systemtic Name: N-[[6-bromanyl-3-(diethylaminomethyl)-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl]-N-ethyl-ethanamine Openeye Name: N-[[6-bromo-3-(diethylaminomethyl)-4-oxido-quinoxalin-4-ium-2-yl]methyl]-N-ethyl-ethanamine CAS Name: N-[[6-bromo-3-(diethylaminomethyl)-4-oxido-2-quinoxalin-4-iumyl]methyl]-N-ethylethanamine IUPAC Name: N-[[6-bromo-3-(diethylaminomethyl)-4-oxidoquinoxalin-4-ium-2-yl]methyl]-N-ethylethanamine Traditional Name: [6-bromo-3-(diethylaminomethyl)-4-oxido-quinoxalin-4-ium-2-yl]methyl-diethyl-amine Formula: C18H27BrN4O MolecularWeight: 395.33718

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=NC2=C(C=C(C=C2)Br)[N+](=C1CN(CC)CC)[O-]

Isomeric SMILES

CCN(CC)CC1=NC2=C(C=C(C=C2)Br)[N+](=C1CN(CC)CC)[O-]

InChI

InChI=1S/C18H27BrN4O/c1-5-21(6-2)12-16-18(13-22(7-3)8-4)23(24)17-11-14(19)9-10-15(17)20-16/h9-11H,5-8,12-13H2,1-4H3