N-[[3-(diethylaminomethyl)-7-nitro-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl]-N-ethyl-ethanamine

Systemtic Name: N-[[3-(diethylaminomethyl)-7-nitro-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl]-N-ethyl-ethanamine Openeye Name: N-[[3-(diethylaminomethyl)-7-nitro-4-oxido-quinoxalin-4-ium-2-yl]methyl]-N-ethyl-ethanamine CAS Name: N-[[3-(diethylaminomethyl)-7-nitro-4-oxido-2-quinoxalin-4-iumyl]methyl]-N-ethylethanamine IUPAC Name: N-[[3-(diethylaminomethyl)-7-nitro-4-oxidoquinoxalin-4-ium-2-yl]methyl]-N-ethylethanamine Traditional Name: [3-(diethylaminomethyl)-6-nitro-1-oxido-quinoxalin-1-ium-2-yl]methyl-diethyl-amine Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O3/c1-5-20(6-2)12-16-18(13-21(7-3)8-4)22(24)17-10-9-14(23(25)26)11-15(17)19-16/h9-11H,5-8,12-13H2,1-4H3