dihydrogen phosphate; (10-methoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-9-yl) ethanoate

Systemtic Name: dihydrogen phosphate; (10-methoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-9-yl) ethanoate Openeye Name: dihydrogen phosphate; (10-methoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-9-yl) acetate CAS Name: acetic acid (10-methoxy-8-methyl-9-isoquinolino[2,1-b]isoquinolin-7-iumyl) ester; dihydrogen phosphate IUPAC Name: dihydrogen phosphate; (10-methoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-yl) acetate Traditional Name: acetic acid (10-methoxy-8-methyl-isoquinolin[2,1-b]isoquinolin-7-ium-9-yl) ester; dihydrogen phosphate Formula: C21H20NO7P MolecularWeight: 429.359761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC3=[N+]1C=CC4=CC=CC=C43)C=CC(=C2OC(=O)C)OC.OP(=O)(O)[O-]

Isomeric SMILES

CC1=C2C(=CC3=[N+]1C=CC4=CC=CC=C43)C=CC(=C2OC(=O)C)OC.OP(=O)(O)[O-]

InChI

InChI=1S/C21H18NO3.H3O4P/c1-13-20-16(8-9-19(24-3)21(20)25-14(2)23)12-18-17-7-5-4-6-15(17)10-11-22(13)18;1-5(2,3)4/h4-12H,1-3H3;(H3,1,2,3,4)/q+1;/p-1