3-(2-azaniumylethyl)-5-ethoxy-1H-indole-2-carboxylate

Systemtic Name: 3-(2-azaniumylethyl)-5-ethoxy-1H-indole-2-carboxylate Openeye Name: 3-(2-azaniumylethyl)-5-ethoxy-1H-indole-2-carboxylate CAS Name: 3-(2-ammonioethyl)-5-ethoxy-1H-indole-2-carboxylate IUPAC Name: 3-(2-azaniumylethyl)-5-ethoxy-1H-indole-2-carboxylate Traditional Name: 3-(2-ammonioethyl)-5-ethoxy-1H-indole-2-carboxylate Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=C2CC[NH3+])C(=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=C2CC[NH3+])C(=O)[O-]

InChI

InChI=1S/C13H16N2O3/c1-2-18-8-3-4-11-10(7-8)9(5-6-14)12(15-11)13(16)17/h3-4,7,15H,2,5-6,14H2,1H3,(H,16,17)