1-[2-(dimethylazaniumyl)ethyl]indole-3-carboxylate

Systemtic Name: 1-[2-(dimethylazaniumyl)ethyl]indole-3-carboxylate Openeye Name: 1-[2-(dimethylammonio)ethyl]indole-3-carboxylate CAS Name: 1-[2-(dimethylammonio)ethyl]-3-indolecarboxylate IUPAC Name: 1-[2-(dimethylazaniumyl)ethyl]indole-3-carboxylate Traditional Name: 1-[2-(dimethylammonio)ethyl]indole-3-carboxylate Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C=C(C2=CC=CC=C21)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCN1C=C(C2=CC=CC=C21)C(=O)[O-]

InChI

InChI=1S/C13H16N2O2/c1-14(2)7-8-15-9-11(13(16)17)10-5-3-4-6-12(10)15/h3-6,9H,7-8H2,1-2H3,(H,16,17)