ethyl 1-(2-cyanopropan-2-yl)-2-methyl-1-(2-methylpropyl)-5-oxidanyl-indol-1-ium-3-carboxylate

Systemtic Name: ethyl 1-(2-cyanopropan-2-yl)-2-methyl-1-(2-methylpropyl)-5-oxidanyl-indol-1-ium-3-carboxylate Openeye Name: ethyl 1-(1-cyano-1-methyl-ethyl)-5-hydroxy-1-isobutyl-2-methyl-indol-1-ium-3-carboxylate CAS Name: 1-(2-cyanopropan-2-yl)-5-hydroxy-2-methyl-1-(2-methylpropyl)-3-indol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-cyanopropan-2-yl)-5-hydroxy-2-methyl-1-(2-methylpropyl)indol-1-ium-3-carboxylate Traditional Name: 1-(1-cyano-1-methyl-ethyl)-5-hydroxy-1-isobutyl-2-methyl-indol-1-ium-3-carboxylic acid ethyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](C2=C1C=C(C=C2)O)(CC(C)C)C(C)(C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C([N+](C2=C1C=C(C=C2)O)(CC(C)C)C(C)(C)C#N)C

InChI

InChI=1S/C20H26N2O3/c1-7-25-19(24)18-14(4)22(11-13(2)3,20(5,6)12-21)17-9-8-15(23)10-16(17)18/h8-10,13H,7,11H2,1-6H3/p+1