2-[2-(cyclohexylamino)ethyl]isoindole-1,3-dione hydrochloride

Systemtic Name: 2-[2-(cyclohexylamino)ethyl]isoindole-1,3-dione hydrochloride Openeye Name: 2-[2-(cyclohexylamino)ethyl]isoindoline-1,3-dione hydrochloride CAS Name: 2-[2-(cyclohexylamino)ethyl]isoindole-1,3-dione hydrochloride IUPAC Name: 2-[2-(cyclohexylamino)ethyl]isoindole-1,3-dione hydrochloride Traditional Name: 2-[2-(cyclohexylamino)ethyl]isoindoline-1,3-quinone hydrochloride Formula: C16H21ClN2O2 MolecularWeight: 308.80314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCN2C(=O)C3=CC=CC=C3C2=O.Cl

Isomeric SMILES

C1CCC(CC1)NCCN2C(=O)C3=CC=CC=C3C2=O.Cl

InChI

InChI=1S/C16H20N2O2.ClH/c19-15-13-8-4-5-9-14(13)16(20)18(15)11-10-17-12-6-2-1-3-7-12;/h4-5,8-9,12,17H,1-3,6-7,10-11H2;1H