dihydrogen phosphate; (10-ethoxy-13-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-9-yl) ethanoate

Systemtic Name: dihydrogen phosphate; (10-ethoxy-13-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-9-yl) ethanoate Openeye Name: dihydrogen phosphate; (10-ethoxy-13-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-9-yl) acetate CAS Name: acetic acid (10-ethoxy-13-methyl-9-isoquinolino[2,1-b]isoquinolin-7-iumyl) ester; dihydrogen phosphate IUPAC Name: dihydrogen phosphate; (10-ethoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-yl) acetate Traditional Name: acetic acid (10-ethoxy-13-methyl-isoquinolin[2,1-b]isoquinolin-7-ium-9-yl) ester; dihydrogen phosphate Formula: C22H22NO7P MolecularWeight: 443.386341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C[N+]3=C(C(=C2C=C1)C)C4=CC=CC=C4C=C3)OC(=O)C.OP(=O)(O)[O-]

Isomeric SMILES

CCOC1=C(C2=C[N+]3=C(C(=C2C=C1)C)C4=CC=CC=C4C=C3)OC(=O)C.OP(=O)(O)[O-]

InChI

InChI=1S/C22H20NO3.H3O4P/c1-4-25-20-10-9-17-14(2)21-18-8-6-5-7-16(18)11-12-23(21)13-19(17)22(20)26-15(3)24;1-5(2,3)4/h5-13H,4H2,1-3H3;(H3,1,2,3,4)/q+1;/p-1