4-[[3-(2-azaniumylethyl)-1H-indol-4-yl]oxycarbonyl]benzoate

Systemtic Name: 4-[[3-(2-azaniumylethyl)-1H-indol-4-yl]oxycarbonyl]benzoate Openeye Name: 4-[[3-(2-azaniumylethyl)-1H-indol-4-yl]oxycarbonyl]benzoate CAS Name: 4-[[3-(2-ammonioethyl)-1H-indol-4-yl]oxy-oxomethyl]benzoate IUPAC Name: 4-[[3-(2-azaniumylethyl)-1H-indol-4-yl]oxycarbonyl]benzoate Traditional Name: 4-[[3-(2-ammonioethyl)-1H-indol-4-yl]oxycarbonyl]benzoate Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OC(=O)C3=CC=C(C=C3)C(=O)[O-])C(=CN2)CC[NH3+]

Isomeric SMILES

C1=CC2=C(C(=C1)OC(=O)C3=CC=C(C=C3)C(=O)[O-])C(=CN2)CC[NH3+]

InChI

InChI=1S/C18H16N2O4/c19-9-8-13-10-20-14-2-1-3-15(16(13)14)24-18(23)12-6-4-11(5-7-12)17(21)22/h1-7,10,20H,8-9,19H2,(H,21,22)