3-azanylidene-4-tert-butyl-1-(3,4-dimethoxyphenyl)-6-ethoxy-1-ethyl-2-oxidanylidene-isoindol-2-ium-5-carboxylic acid

Systemtic Name: 3-azanylidene-4-tert-butyl-1-(3,4-dimethoxyphenyl)-6-ethoxy-1-ethyl-2-oxidanylidene-isoindol-2-ium-5-carboxylic acid Openeye Name: 4-tert-butyl-1-(3,4-dimethoxyphenyl)-6-ethoxy-1-ethyl-3-imino-2-oxo-isoindolin-2-ium-5-carboxylic acid CAS Name: 4-tert-butyl-1-(3,4-dimethoxyphenyl)-6-ethoxy-1-ethyl-3-imino-2-oxo-5-isoindol-2-iumcarboxylic acid IUPAC Name: 4-tert-butyl-1-(3,4-dimethoxyphenyl)-6-ethoxy-1-ethyl-3-imino-2-oxoisoindol-2-ium-5-carboxylic acid Traditional Name: 4-tert-butyl-1-(3,4-dimethoxyphenyl)-6-ethoxy-1-ethyl-3-imino-2-keto-isoindolin-2-ium-5-carboxylic acid Formula: C25H31N2O6+ MolecularWeight: 455.52344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC(=C(C(=C2C(=N)[N+]1=O)C(C)(C)C)C(=O)O)OCC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1(C2=CC(=C(C(=C2C(=N)[N+]1=O)C(C)(C)C)C(=O)O)OCC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H30N2O6/c1-8-25(14-10-11-16(31-6)17(12-14)32-7)15-13-18(33-9-2)20(23(28)29)21(24(3,4)5)19(15)22(26)27(25)30/h10-13,26H,8-9H2,1-7H3/p+1