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

Systemtic Name: 3-(2-azaniumylethyl)-5-(2-phenylethynyl)-1H-indole-2-carboxylate Openeye Name: 3-(2-azaniumylethyl)-5-(2-phenylethynyl)-1H-indole-2-carboxylate CAS Name: 3-(2-ammonioethyl)-5-(2-phenylethynyl)-1H-indole-2-carboxylate IUPAC Name: 3-(2-azaniumylethyl)-5-(2-phenylethynyl)-1H-indole-2-carboxylate Traditional Name: 3-(2-ammonioethyl)-5-(2-phenylethynyl)-1H-indole-2-carboxylate Formula: C19H16N2O2 MolecularWeight: 304.34254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)NC(=C3CC[NH3+])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)NC(=C3CC[NH3+])C(=O)[O-]

InChI

InChI=1S/C19H16N2O2/c20-11-10-15-16-12-14(7-6-13-4-2-1-3-5-13)8-9-17(16)21-18(15)19(22)23/h1-5,8-9,12,21H,10-11,20H2,(H,22,23)