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

Systemtic Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2-methyl-isoquinolin-2-ium iodide Openeye Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2-methyl-isoquinolin-2-ium iodide CAS Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2-methylisoquinolin-2-ium iodide IUPAC Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-2-methylisoquinolin-2-ium iodide Traditional Name: 1-(3,4-diethoxybenzyl)-6,7-diethoxy-2-methyl-isoquinolin-2-ium iodide Formula: C25H32INO4 MolecularWeight: 537.43035

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=[N+](C=CC3=CC(=C(C=C32)OCC)OCC)C)OCC.[I-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=[N+](C=CC3=CC(=C(C=C32)OCC)OCC)C)OCC.[I-]

InChI

InChI=1S/C25H32NO4.HI/c1-6-27-22-11-10-18(15-23(22)28-7-2)14-21-20-17-25(30-9-4)24(29-8-3)16-19(20)12-13-26(21)5;/h10-13,15-17H,6-9,14H2,1-5H3;1H/q+1;/p-1