3-azanylidene-2-[4-(cyanomethoxy)-3-propan-2-yl-phenyl]-6-(dimethylamino)-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-carboxylic acid

Systemtic Name: 3-azanylidene-2-[4-(cyanomethoxy)-3-propan-2-yl-phenyl]-6-(dimethylamino)-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-carboxylic acid Openeye Name: 2-[4-(cyanomethoxy)-3-isopropyl-phenyl]-6-(dimethylamino)-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxylic acid CAS Name: 2-[4-(cyanomethoxy)-3-propan-2-ylphenyl]-6-(dimethylamino)-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxylic acid IUPAC Name: 2-[4-(cyanomethoxy)-3-propan-2-ylphenyl]-6-(dimethylamino)-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxylic acid Traditional Name: 2-[4-(cyanomethoxy)-3-isopropyl-phenyl]-6-(dimethylamino)-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxylic acid Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4/c1-6-21-17-13-20(27(4)5)19(24(29)30)12-18(17)23(26)28(21,31)15-7-8-22(32-10-9-25)16(11-15)14(2)3/h7-8,11-14,21,26H,6,10H2,1-5H3,(H,29,30)