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

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-6,7-dimethoxy-3-methyl-isoquinolin-2-ium chloride Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-6,7-dimethoxy-3-methyl-isoquinolin-2-ium chloride CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-6,7-dimethoxy-3-methylisoquinolin-2-ium chloride IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-6,7-dimethoxy-3-methylisoquinolin-2-ium chloride Traditional Name: 1-(4-ethoxy-3-methoxy-benzyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium chloride Formula: C22H26ClNO4 MolecularWeight: 403.89914

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4.ClH/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;/h7-9,11-13H,6,10H2,1-5H3;1H