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

Systemtic Name: N-[[3-(butylaminomethyl)-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]methyl]butan-1-amine Openeye Name: N-[[3-(butylaminomethyl)-1-oxido-4-oxo-quinoxalin-4-ium-2-yl]methyl]butan-1-amine CAS Name: N-[[3-(butylaminomethyl)-1-oxido-4-oxo-2-quinoxalin-4-iumyl]methyl]-1-butanamine IUPAC Name: N-[[3-(butylaminomethyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methyl]butan-1-amine Traditional Name: butyl-[[3-(butylaminomethyl)-1-keto-4-oxido-quinoxalin-1-ium-2-yl]methyl]amine Formula: C18H28N4O2 MolecularWeight: 332.44052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=C([N+](=O)C2=CC=CC=C2N1[O-])CNCCCC

Isomeric SMILES

CCCCNCC1=C([N+](=O)C2=CC=CC=C2N1[O-])CNCCCC

InChI

InChI=1S/C18H28N4O2/c1-3-5-11-19-13-17-18(14-20-12-6-4-2)22(24)16-10-8-7-9-15(16)21(17)23/h7-10,19-20H,3-6,11-14H2,1-2H3