methyl 5-methoxy-1-methyl-indol-1-ium-1-carboxylate

Systemtic Name: methyl 5-methoxy-1-methyl-indol-1-ium-1-carboxylate Openeye Name: methyl 5-methoxy-1-methyl-indol-1-ium-1-carboxylate CAS Name: 5-methoxy-1-methyl-1-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 5-methoxy-1-methylindol-1-ium-1-carboxylate Traditional Name: 5-methoxy-1-methyl-indol-1-ium-1-carboxylic acid methyl ester Formula: C12H14NO3+ MolecularWeight: 220.24446

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=CC2=C1C=CC(=C2)OC)C(=O)OC

Isomeric SMILES

C[N+]1(C=CC2=C1C=CC(=C2)OC)C(=O)OC

InChI

InChI=1S/C12H14NO3/c1-13(12(14)16-3)7-6-9-8-10(15-2)4-5-11(9)13/h4-8H,1-3H3/q+1