5-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]-1-methyl-indole-2-carboxylate

Systemtic Name: 5-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]-1-methyl-indole-2-carboxylate Openeye Name: 5-[4-[2-(dimethylammonio)ethoxy]phenyl]-1-methyl-indole-2-carboxylate CAS Name: 5-[4-[2-(dimethylammonio)ethoxy]phenyl]-1-methyl-2-indolecarboxylate IUPAC Name: 5-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]-1-methylindole-2-carboxylate Traditional Name: 5-[4-[2-(dimethylammonio)ethoxy]phenyl]-1-methyl-indole-2-carboxylate Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3=CC=C(C=C3)OCC[NH+](C)C)C=C1C(=O)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3=CC=C(C=C3)OCC[NH+](C)C)C=C1C(=O)[O-]

InChI

InChI=1S/C20H22N2O3/c1-21(2)10-11-25-17-7-4-14(5-8-17)15-6-9-18-16(12-15)13-19(20(23)24)22(18)3/h4-9,12-13H,10-11H2,1-3H3,(H,23,24)