N-[(2,3-dimethylisoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxy-benzamide iodide

Systemtic Name: N-[(2,3-dimethylisoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxy-benzamide iodide Openeye Name: N-[(2,3-dimethylisoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxy-benzamide iodide CAS Name: N-[(2,3-dimethyl-1-isoquinolin-2-iumyl)methyl]-3,4,5-trimethoxybenzamide iodide IUPAC Name: N-[(2,3-dimethylisoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxybenzamide iodide Traditional Name: N-[(2,3-dimethylisoquinolin-2-ium-1-yl)methyl]-3,4,5-trimethoxy-benzamide iodide Formula: C22H25IN2O4 MolecularWeight: 508.34937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=[N+]1C)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[I-]

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=[N+]1C)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[I-]

InChI

InChI=1S/C22H24N2O4.HI/c1-14-10-15-8-6-7-9-17(15)18(24(14)2)13-23-22(25)16-11-19(26-3)21(28-5)20(12-16)27-4;/h6-12H,13H2,1-5H3;1H