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

Systemtic Name: 3-(2-azaniumylethyl)-5-methoxy-1-methyl-indole-2-carboxylate Openeye Name: 3-(2-azaniumylethyl)-5-methoxy-1-methyl-indole-2-carboxylate CAS Name: 3-(2-ammonioethyl)-5-methoxy-1-methyl-2-indolecarboxylate IUPAC Name: 3-(2-azaniumylethyl)-5-methoxy-1-methylindole-2-carboxylate Traditional Name: 3-(2-ammonioethyl)-5-methoxy-1-methyl-indole-2-carboxylate Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C(=C1C(=O)[O-])CC[NH3+]

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C(=C1C(=O)[O-])CC[NH3+]

InChI

InChI=1S/C13H16N2O3/c1-15-11-4-3-8(18-2)7-10(11)9(5-6-14)12(15)13(16)17/h3-4,7H,5-6,14H2,1-2H3,(H,16,17)