ethyl 1-(1-azanyl-2-methyl-1-oxidanylidene-propan-2-yl)-2-methyl-1-(2-methylpropyl)-5-oxidanyl-indol-1-ium-3-carboxylate

Systemtic Name: ethyl 1-(1-azanyl-2-methyl-1-oxidanylidene-propan-2-yl)-2-methyl-1-(2-methylpropyl)-5-oxidanyl-indol-1-ium-3-carboxylate Openeye Name: ethyl 1-(2-amino-1,1-dimethyl-2-oxo-ethyl)-5-hydroxy-1-isobutyl-2-methyl-indol-1-ium-3-carboxylate CAS Name: 1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-hydroxy-2-methyl-1-(2-methylpropyl)-3-indol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-hydroxy-2-methyl-1-(2-methylpropyl)indol-1-ium-3-carboxylate Traditional Name: 1-(2-amino-2-keto-1,1-dimethyl-ethyl)-5-hydroxy-1-isobutyl-2-methyl-indol-1-ium-3-carboxylic acid ethyl ester Formula: C20H29N2O4+ MolecularWeight: 361.45526

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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(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4/c1-7-26-18(24)17-13(4)22(11-12(2)3,20(5,6)19(21)25)16-9-8-14(23)10-15(16)17/h8-10,12H,7,11H2,1-6H3,(H2-,21,23,25)/p+1