1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride

Systemtic Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride Openeye Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride CAS Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride IUPAC Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride Traditional Name: 1-(3,4-diethoxybenzyl)-6,7-diethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride Formula: C25H32ClNO5 MolecularWeight: 461.97828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CC(=O)[NH+]2C)OCC)OCC)OCC.[Cl-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CC(=O)[NH+]2C)OCC)OCC)OCC.[Cl-]

InChI

InChI=1S/C25H31NO5.ClH/c1-6-28-21-11-10-17(13-22(21)29-7-2)12-20-19-16-24(31-9-4)23(30-8-3)14-18(19)15-25(27)26(20)5;/h10-11,13-16H,6-9,12H2,1-5H3;1H