2-[4,6-dimethoxy-3,7-bis(oxidanyl)phenanthren-1-yl]ethylazanium

Systemtic Name: 2-[4,6-dimethoxy-3,7-bis(oxidanyl)phenanthren-1-yl]ethylazanium Openeye Name: 2-(3,7-dihydroxy-4,6-dimethoxy-1-phenanthryl)ethylammonium CAS Name: 2-(3,7-dihydroxy-4,6-dimethoxy-1-phenanthrenyl)ethylammonium IUPAC Name: 2-(3,7-dihydroxy-4,6-dimethoxyphenanthren-1-yl)ethylazanium Traditional Name: 2-(3,7-dihydroxy-4,6-dimethoxy-1-phenanthryl)ethylammonium Formula: C18H20NO4+ MolecularWeight: 314.3557

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CC3=C(C2=C1)C(=C(C=C3CC[NH3+])O)OC)O

Isomeric SMILES

COC1=C(C=C2C=CC3=C(C2=C1)C(=C(C=C3CC[NH3+])O)OC)O

InChI

InChI=1S/C18H19NO4/c1-22-16-9-13-10(7-14(16)20)3-4-12-11(5-6-19)8-15(21)18(23-2)17(12)13/h3-4,7-9,20-21H,5-6,19H2,1-2H3/p+1