3-(chloromethyl)-N-dodecyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxamide

Systemtic Name: 3-(chloromethyl)-N-dodecyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxamide Openeye Name: 3-(chloromethyl)-N-dodecyl-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxamide CAS Name: 3-(chloromethyl)-N-dodecyl-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxamide IUPAC Name: 3-(chloromethyl)-N-dodecyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide Traditional Name: 3-(chloromethyl)-1-keto-N-lauryl-4-oxido-quinoxalin-1-ium-2-carboxamide Formula: C22H32ClN3O3 MolecularWeight: 421.96078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CCl

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CCl

InChI

InChI=1S/C22H32ClN3O3/c1-2-3-4-5-6-7-8-9-10-13-16-24-22(27)21-20(17-23)25(28)18-14-11-12-15-19(18)26(21)29/h11-12,14-15H,2-10,13,16-17H2,1H3,(H,24,27)