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

Systemtic Name: 3-(2-azaniumylethyl)-5-methyl-1H-indole-2-carboxylate Openeye Name: 3-(2-azaniumylethyl)-5-methyl-1H-indole-2-carboxylate CAS Name: 3-(2-ammonioethyl)-5-methyl-1H-indole-2-carboxylate IUPAC Name: 3-(2-azaniumylethyl)-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-(2-ammonioethyl)-5-methyl-1H-indole-2-carboxylate Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CC[NH3+])C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CC[NH3+])C(=O)[O-]

InChI

InChI=1S/C12H14N2O2/c1-7-2-3-10-9(6-7)8(4-5-13)11(14-10)12(15)16/h2-3,6,14H,4-5,13H2,1H3,(H,15,16)