diethyl 2-(3-isoquinolin-2-ium-2-ylpropyl)propanedioate perchlorate

Systemtic Name: diethyl 2-(3-isoquinolin-2-ium-2-ylpropyl)propanedioate perchlorate Openeye Name: diethyl 2-(3-isoquinolin-2-ium-2-ylpropyl)propanedioate perchlorate CAS Name: 2-[3-(2-isoquinolin-2-iumyl)propyl]propanedioic acid diethyl ester perchlorate IUPAC Name: diethyl 2-(3-isoquinolin-2-ium-2-ylpropyl)propanedioate perchlorate Traditional Name: 2-(3-isoquinolin-2-ium-2-ylpropyl)malonic acid diethyl ester perchlorate Formula: C19H24ClNO8 MolecularWeight: 429.84876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC[N+]1=CC2=CC=CC=C2C=C1)C(=O)OCC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC(=O)C(CCC[N+]1=CC2=CC=CC=C2C=C1)C(=O)OCC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C19H24NO4.ClHO4/c1-3-23-18(21)17(19(22)24-4-2)10-7-12-20-13-11-15-8-5-6-9-16(15)14-20;2-1(3,4)5/h5-6,8-9,11,13-14,17H,3-4,7,10,12H2,1-2H3;(H,2,3,4,5)/q+1;/p-1