2-(3-azanyl-1-phenyl-propyl)-3,5,6-trimethyl-cyclohexa-2,5-diene-1,4-dione hydrochloride

Systemtic Name: 2-(3-azanyl-1-phenyl-propyl)-3,5,6-trimethyl-cyclohexa-2,5-diene-1,4-dione hydrochloride Openeye Name: 2-(3-amino-1-phenyl-propyl)-3,5,6-trimethyl-1,4-benzoquinone hydrochloride CAS Name: 2-(3-amino-1-phenylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione hydrochloride IUPAC Name: 2-(3-amino-1-phenylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione hydrochloride Traditional Name: 2-(3-amino-1-phenyl-propyl)-3,5,6-trimethyl-p-benzoquinone hydrochloride Formula: C18H22ClNO2 MolecularWeight: 319.82578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)C(CCN)C2=CC=CC=C2)C.Cl

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)C(CCN)C2=CC=CC=C2)C.Cl

InChI

InChI=1S/C18H21NO2.ClH/c1-11-12(2)18(21)16(13(3)17(11)20)15(9-10-19)14-7-5-4-6-8-14;/h4-8,15H,9-10,19H2,1-3H3;1H