dihydrogen phosphate; 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-6,7-dimethoxy-3-methyl-isoquinolin-2-ium

Systemtic Name: dihydrogen phosphate; 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-6,7-dimethoxy-3-methyl-isoquinolin-2-ium Openeye Name: dihydrogen phosphate; 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-6,7-dimethoxy-3-methyl-isoquinolin-2-ium CAS Name: dihydrogen phosphate; 1-[(4-ethoxy-3-methoxyphenyl)methyl]-6,7-dimethoxy-3-methylisoquinolin-2-ium IUPAC Name: dihydrogen phosphate; 1-[(4-ethoxy-3-methoxyphenyl)methyl]-6,7-dimethoxy-3-methylisoquinolin-2-ium Traditional Name: dihydrogen phosphate; 1-(4-ethoxy-3-methoxy-benzyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium Formula: C22H28NO8P MolecularWeight: 465.433381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=[NH+]C(=CC3=CC(=C(C=C32)OC)OC)C)OC.OP(=O)(O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=[NH+]C(=CC3=CC(=C(C=C32)OC)OC)C)OC.OP(=O)(O)[O-]

InChI

InChI=1S/C22H25NO4.H3O4P/c1-6-27-19-8-7-15(11-20(19)24-3)10-18-17-13-22(26-5)21(25-4)12-16(17)9-14(2)23-18;1-5(2,3)4/h7-9,11-13H,6,10H2,1-5H3;(H3,1,2,3,4)