3-[(2R)-1-azaniumylpropan-2-yl]-6-chloranyl-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: 3-[(2R)-1-azaniumylpropan-2-yl]-6-chloranyl-5-methoxy-1H-indole-2-carboxylate Openeye Name: 3-[(1R)-2-azaniumyl-1-methyl-ethyl]-6-chloro-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[(2R)-1-ammoniopropan-2-yl]-6-chloro-5-methoxy-1H-indole-2-carboxylate IUPAC Name: 3-[(2R)-1-azaniumylpropan-2-yl]-6-chloro-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[(1R)-2-ammonio-1-methyl-ethyl]-6-chloro-5-methoxy-1H-indole-2-carboxylate Formula: C13H15ClN2O3 MolecularWeight: 282.7228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH3+])C1=C(NC2=CC(=C(C=C21)OC)Cl)C(=O)[O-]

Isomeric SMILES

C[C@@H](C[NH3+])C1=C(NC2=CC(=C(C=C21)OC)Cl)C(=O)[O-]

InChI

InChI=1S/C13H15ClN2O3/c1-6(5-15)11-7-3-10(19-2)8(14)4-9(7)16-12(11)13(17)18/h3-4,6,16H,5,15H2,1-2H3,(H,17,18)/t6-/m0/s1