(2S)-2-(2-dimethylaminoethylazaniumyl)-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-(2-dimethylaminoethylazaniumyl)-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(5-benzyloxy-1H-indol-3-yl)-2-(2-dimethylaminoethylammonio)acetate CAS Name: (2S)-2-(2-dimethylaminoethylammonio)-2-(5-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(2-dimethylaminoethylazaniumyl)-2-(5-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(5-benzoxy-1H-indol-3-yl)-2-(2-dimethylaminoethylammonio)acetate Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[NH2+]C(C1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CN(C)CC[NH2+][C@@H](C1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-24(2)11-10-22-20(21(25)26)18-13-23-19-9-8-16(12-17(18)19)27-14-15-6-4-3-5-7-15/h3-9,12-13,20,22-23H,10-11,14H2,1-2H3,(H,25,26)/t20-/m0/s1