methyl 1-ethyl-1-methyl-5-oxidanyl-indol-1-ium-2-carboxylate

Systemtic Name: methyl 1-ethyl-1-methyl-5-oxidanyl-indol-1-ium-2-carboxylate Openeye Name: methyl 1-ethyl-5-hydroxy-1-methyl-indol-1-ium-2-carboxylate CAS Name: 1-ethyl-5-hydroxy-1-methyl-2-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-ethyl-5-hydroxy-1-methylindol-1-ium-2-carboxylate Traditional Name: 1-ethyl-5-hydroxy-1-methyl-indol-1-ium-2-carboxylic acid methyl ester Formula: C13H16NO3+ MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=C(C=C(C=C2)O)C=C1C(=O)OC)C

Isomeric SMILES

CC[N+]1(C2=C(C=C(C=C2)O)C=C1C(=O)OC)C

InChI

InChI=1S/C13H15NO3/c1-4-14(2)11-6-5-10(15)7-9(11)8-12(14)13(16)17-3/h5-8H,4H2,1-3H3/p+1