3-(2-diethylaminoethyloxy)-1-oxidanyl-naphtho[3,2-b][1]benzofuran-6,11-dione hydrochloride

Systemtic Name: 3-(2-diethylaminoethyloxy)-1-oxidanyl-naphtho[3,2-b][1]benzofuran-6,11-dione hydrochloride Openeye Name: 3-(2-diethylaminoethyloxy)-1-hydroxy-naphtho[3,2-b]benzofuran-6,11-dione hydrochloride CAS Name: 3-(2-diethylaminoethyloxy)-1-hydroxynaphtho[3,2-b]benzofuran-6,11-dione hydrochloride IUPAC Name: 3-(2-diethylaminoethyloxy)-1-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione hydrochloride Traditional Name: 3-(2-diethylaminoethyloxy)-1-hydroxy-naphtho[3,2-b]benzofuran-6,11-quinone hydrochloride Formula: C22H22ClNO5 MolecularWeight: 415.86678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC(=C2C(=C1)OC3=C2C(=O)C4=CC=CC=C4C3=O)O.Cl

Isomeric SMILES

CCN(CC)CCOC1=CC(=C2C(=C1)OC3=C2C(=O)C4=CC=CC=C4C3=O)O.Cl

InChI

InChI=1S/C22H21NO5.ClH/c1-3-23(4-2)9-10-27-13-11-16(24)18-17(12-13)28-22-19(18)20(25)14-7-5-6-8-15(14)21(22)26;/h5-8,11-12,24H,3-4,9-10H2,1-2H3;1H