3-(tert-butylamino)-1-indol-1-yl-propan-1-one hydrate hydrochloride

Systemtic Name: 3-(tert-butylamino)-1-indol-1-yl-propan-1-one hydrate hydrochloride Openeye Name: 3-(tert-butylamino)-1-indol-1-yl-propan-1-one hydrate hydrochloride CAS Name: 3-(tert-butylamino)-1-(1-indolyl)-1-propanone hydrate hydrochloride IUPAC Name: 3-(tert-butylamino)-1-indol-1-ylpropan-1-one hydrate hydrochloride Traditional Name: 3-(tert-butylamino)-1-indol-1-yl-propan-1-one hydrate hydrochloride Formula: C15H23ClN2O2 MolecularWeight: 298.80832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCCC(=O)N1C=CC2=CC=CC=C21.O.Cl

Isomeric SMILES

CC(C)(C)NCCC(=O)N1C=CC2=CC=CC=C21.O.Cl

InChI

InChI=1S/C15H20N2O.ClH.H2O/c1-15(2,3)16-10-8-14(18)17-11-9-12-6-4-5-7-13(12)17;;/h4-7,9,11,16H,8,10H2,1-3H3;1H;1H2