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

Systemtic Name: 3-(2-azaniumylethyl)-5,7-dimethyl-1H-indole-2-carboxylate Openeye Name: 3-(2-azaniumylethyl)-5,7-dimethyl-1H-indole-2-carboxylate CAS Name: 3-(2-ammonioethyl)-5,7-dimethyl-1H-indole-2-carboxylate IUPAC Name: 3-(2-azaniumylethyl)-5,7-dimethyl-1H-indole-2-carboxylate Traditional Name: 3-(2-ammonioethyl)-5,7-dimethyl-1H-indole-2-carboxylate Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(N2)C(=O)[O-])CC[NH3+])C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(N2)C(=O)[O-])CC[NH3+])C

InChI

InChI=1S/C13H16N2O2/c1-7-5-8(2)11-10(6-7)9(3-4-14)12(15-11)13(16)17/h5-6,15H,3-4,14H2,1-2H3,(H,16,17)