3-[[(2S)-2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]azaniumyl]propanoate

Systemtic Name: 3-[[(2S)-2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]azaniumyl]propanoate Openeye Name: 3-[[(2S)-2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]ammonio]propanoate CAS Name: 3-[[(2S)-2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]ammonio]propanoate IUPAC Name: 3-[[(2S)-2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]azaniumyl]propanoate Traditional Name: 3-[[(2S)-2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]ammonio]propionate Formula: C21H25N3O2 MolecularWeight: 351.4421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C[NH2+]CCC(=O)[O-])C2=CNC3=CC=CC=C32

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](C[NH2+]CCC(=O)[O-])C2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H25N3O2/c1-24(2)16-9-7-15(8-10-16)18(13-22-12-11-21(25)26)19-14-23-20-6-4-3-5-17(19)20/h3-10,14,18,22-23H,11-13H2,1-2H3,(H,25,26)/t18-/m0/s1