4-butyl-3-[(4-chlorophenyl)methyl]-1-methyl-1-oxidanidyl-8-oxidanyl-cinnolin-1-ium-4-carboxamide

Systemtic Name: 4-butyl-3-[(4-chlorophenyl)methyl]-1-methyl-1-oxidanidyl-8-oxidanyl-cinnolin-1-ium-4-carboxamide Openeye Name: 4-butyl-3-[(4-chlorophenyl)methyl]-8-hydroxy-1-methyl-1-oxido-cinnolin-1-ium-4-carboxamide CAS Name: 4-butyl-3-[(4-chlorophenyl)methyl]-8-hydroxy-1-methyl-1-oxido-4-cinnolin-1-iumcarboxamide IUPAC Name: 4-butyl-3-[(4-chlorophenyl)methyl]-8-hydroxy-1-methyl-1-oxidocinnolin-1-ium-4-carboxamide Traditional Name: 4-butyl-3-(4-chlorobenzyl)-8-hydroxy-1-methyl-1-oxido-cinnolin-1-ium-4-carboxamide Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C(C(=CC=C2)O)[N+](N=C1CC3=CC=C(C=C3)Cl)(C)[O-])C(=O)N

Isomeric SMILES

CCCCC1(C2=C(C(=CC=C2)O)[N+](N=C1CC3=CC=C(C=C3)Cl)(C)[O-])C(=O)N

InChI

InChI=1S/C21H24ClN3O3/c1-3-4-12-21(20(23)27)16-6-5-7-17(26)19(16)25(2,28)24-18(21)13-14-8-10-15(22)11-9-14/h5-11,26H,3-4,12-13H2,1-2H3,(H2,23,27)