(2S)-2-[3-(dimethylazaniumyl)propylamino]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-[3-(dimethylazaniumyl)propylamino]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(6-benzyloxy-1H-indol-3-yl)-2-[3-(dimethylammonio)propylamino]acetate CAS Name: (2S)-2-[3-(dimethylammonio)propylamino]-2-(6-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[3-(dimethylazaniumyl)propylamino]-2-(6-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(6-benzoxy-1H-indol-3-yl)-2-[3-(dimethylammonio)propylamino]acetate Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-25(2)12-6-11-23-21(22(26)27)19-14-24-20-13-17(9-10-18(19)20)28-15-16-7-4-3-5-8-16/h3-5,7-10,13-14,21,23-24H,6,11-12,15H2,1-2H3,(H,26,27)/t21-/m0/s1