3-(3-azaniumylpropyl)-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: 3-(3-azaniumylpropyl)-5-methoxy-1H-indole-2-carboxylate Openeye Name: 3-(3-azaniumylpropyl)-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-(3-ammoniopropyl)-5-methoxy-1H-indole-2-carboxylate IUPAC Name: 3-(3-azaniumylpropyl)-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-(3-ammoniopropyl)-5-methoxy-1H-indole-2-carboxylate Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C2CCC[NH3+])C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C2CCC[NH3+])C(=O)[O-]

InChI

InChI=1S/C13H16N2O3/c1-18-8-4-5-11-10(7-8)9(3-2-6-14)12(15-11)13(16)17/h4-5,7,15H,2-3,6,14H2,1H3,(H,16,17)