3-azanylidene-2-(3-cyclopentyl-5-methyl-4-oxidanyl-phenyl)-6-ethoxy-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-carboxamide hydrobromide

Systemtic Name: 3-azanylidene-2-(3-cyclopentyl-5-methyl-4-oxidanyl-phenyl)-6-ethoxy-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-carboxamide hydrobromide Openeye Name: 2-(3-cyclopentyl-4-hydroxy-5-methyl-phenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxamide hydrobromide CAS Name: 2-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxamide hydrobromide IUPAC Name: 2-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxamide hydrobromide Traditional Name: 2-(3-cyclopentyl-4-hydroxy-5-methyl-phenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxamide hydrobromide Formula: C25H32BrN3O4 MolecularWeight: 518.44328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC(=C(C=C2C(=N)[N+]1(C3=CC(=C(C(=C3)C4CCCC4)O)C)[O-])C(=O)N)OCC.Br

Isomeric SMILES

CCC1C2=CC(=C(C=C2C(=N)[N+]1(C3=CC(=C(C(=C3)C4CCCC4)O)C)[O-])C(=O)N)OCC.Br

InChI

InChI=1S/C25H31N3O4.BrH/c1-4-21-18-13-22(32-5-2)20(25(27)30)12-19(18)24(26)28(21,31)16-10-14(3)23(29)17(11-16)15-8-6-7-9-15;/h10-13,15,21,26,29H,4-9H2,1-3H3,(H2,27,30);1H