3-(3-azaniumylpropyl)-4,6-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: 3-(3-azaniumylpropyl)-4,6-dimethoxy-1H-indole-2-carboxylate Openeye Name: 3-(3-azaniumylpropyl)-4,6-dimethoxy-1H-indole-2-carboxylate CAS Name: 3-(3-ammoniopropyl)-4,6-dimethoxy-1H-indole-2-carboxylate IUPAC Name: 3-(3-azaniumylpropyl)-4,6-dimethoxy-1H-indole-2-carboxylate Traditional Name: 3-(3-ammoniopropyl)-4,6-dimethoxy-1H-indole-2-carboxylate Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)NC(=C2CCC[NH3+])C(=O)[O-])OC

Isomeric SMILES

COC1=CC(=C2C(=C1)NC(=C2CCC[NH3+])C(=O)[O-])OC

InChI

InChI=1S/C14H18N2O4/c1-19-8-6-10-12(11(7-8)20-2)9(4-3-5-15)13(16-10)14(17)18/h6-7,16H,3-5,15H2,1-2H3,(H,17,18)