3-(2-azaniumylethyl)-5,7-bis(chloranyl)-1H-indole-2-carboxylate

Systemtic Name: 3-(2-azaniumylethyl)-5,7-bis(chloranyl)-1H-indole-2-carboxylate Openeye Name: 3-(2-azaniumylethyl)-5,7-dichloro-1H-indole-2-carboxylate CAS Name: 3-(2-ammonioethyl)-5,7-dichloro-1H-indole-2-carboxylate IUPAC Name: 3-(2-azaniumylethyl)-5,7-dichloro-1H-indole-2-carboxylate Traditional Name: 3-(2-ammonioethyl)-5,7-dichloro-1H-indole-2-carboxylate Formula: C11H10Cl2N2O2 MolecularWeight: 273.1153

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C(NC2=C1Cl)C(=O)[O-])CC[NH3+])Cl

Isomeric SMILES

C1=C(C=C2C(=C(NC2=C1Cl)C(=O)[O-])CC[NH3+])Cl

InChI

InChI=1S/C11H10Cl2N2O2/c12-5-3-7-6(1-2-14)10(11(16)17)15-9(7)8(13)4-5/h3-4,15H,1-2,14H2,(H,16,17)