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

Systemtic Name: 3-azanylidene-2-(3-cyclopentyl-5-methyl-4-oxidanyl-phenyl)-6-ethoxy-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-carboxamide Openeye Name: 2-(3-cyclopentyl-4-hydroxy-5-methyl-phenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxamide CAS Name: 2-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxamide IUPAC Name: 2-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxamide Traditional Name: 2-(3-cyclopentyl-4-hydroxy-5-methyl-phenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxamide Formula: C25H31N3O4 MolecularWeight: 437.53134

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4/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)