(1,2-dimethoxyphenanthro[2,1-f][1,3]benzodioxol-12-yl)azanium

Systemtic Name: (1,2-dimethoxyphenanthro[2,1-f][1,3]benzodioxol-12-yl)azanium Openeye Name: (1,2-dimethoxyphenanthro[2,1-f][1,3]benzodioxol-12-yl)ammonium CAS Name: (1,2-dimethoxy-12-phenanthro[2,1-f][1,3]benzodioxolyl)ammonium IUPAC Name: (1,2-dimethoxyphenanthro[2,1-f][1,3]benzodioxol-12-yl)azanium Traditional Name: (1,2-dimethoxyphenanthro[2,1-f][1,3]benzodioxol-12-yl)ammonium Formula: C21H18NO4+ MolecularWeight: 348.37192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC(=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)[NH3+])OC

Isomeric SMILES

COC1=C(C2=CC(=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)[NH3+])OC

InChI

InChI=1S/C21H17NO4/c1-23-17-6-5-12-13-4-3-11-7-18-19(26-10-25-18)9-14(11)20(13)16(22)8-15(12)21(17)24-2/h3-9H,10,22H2,1-2H3/p+1