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

Systemtic Name: 3-(2-azaniumylethyl)-5-ethanoyl-1H-indole-2-carboxylate Openeye Name: 5-acetyl-3-(2-azaniumylethyl)-1H-indole-2-carboxylate CAS Name: 5-acetyl-3-(2-ammonioethyl)-1H-indole-2-carboxylate IUPAC Name: 5-acetyl-3-(2-azaniumylethyl)-1H-indole-2-carboxylate Traditional Name: 5-acetyl-3-(2-ammonioethyl)-1H-indole-2-carboxylate Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-7(16)8-2-3-11-10(6-8)9(4-5-14)12(15-11)13(17)18/h2-3,6,15H,4-5,14H2,1H3,(H,17,18)