1-(1H-indol-3-yl)butan-2-ylazanium ethanoate

Systemtic Name: 1-(1H-indol-3-yl)butan-2-ylazanium ethanoate Openeye Name: 1-(1H-indol-3-ylmethyl)propylammonium acetate CAS Name: 1-(1H-indol-3-yl)butan-2-ylammonium acetate IUPAC Name: 1-(1H-indol-3-yl)butan-2-ylazanium acetate Traditional Name: 1-(1H-indol-3-ylmethyl)propylammonium acetate Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CNC2=CC=CC=C21)[NH3+].CC(=O)[O-]

Isomeric SMILES

CCC(CC1=CNC2=CC=CC=C21)[NH3+].CC(=O)[O-]

InChI

InChI=1S/C12H16N2.C2H4O2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12;1-2(3)4/h3-6,8,10,14H,2,7,13H2,1H3;1H3,(H,3,4)