3-(2-azaniumylethyl)-4,5,6-trimethoxy-1H-indole-2-carboxylate

Systemtic Name: 3-(2-azaniumylethyl)-4,5,6-trimethoxy-1H-indole-2-carboxylate Openeye Name: 3-(2-azaniumylethyl)-4,5,6-trimethoxy-1H-indole-2-carboxylate CAS Name: 3-(2-ammonioethyl)-4,5,6-trimethoxy-1H-indole-2-carboxylate IUPAC Name: 3-(2-azaniumylethyl)-4,5,6-trimethoxy-1H-indole-2-carboxylate Traditional Name: 3-(2-ammonioethyl)-4,5,6-trimethoxy-1H-indole-2-carboxylate Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)NC(=C2CC[NH3+])C(=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)NC(=C2CC[NH3+])C(=O)[O-])OC)OC

InChI

InChI=1S/C14H18N2O5/c1-19-9-6-8-10(13(21-3)12(9)20-2)7(4-5-15)11(16-8)14(17)18/h6,16H,4-5,15H2,1-3H3,(H,17,18)