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

Systemtic Name: 3,4,5-trimethoxy-N-[(2-methylisoquinolin-2-ium-1-yl)methyl]benzamide iodide Openeye Name: 3,4,5-trimethoxy-N-[(2-methylisoquinolin-2-ium-1-yl)methyl]benzamide iodide CAS Name: 3,4,5-trimethoxy-N-[(2-methyl-1-isoquinolin-2-iumyl)methyl]benzamide iodide IUPAC Name: 3,4,5-trimethoxy-N-[(2-methylisoquinolin-2-ium-1-yl)methyl]benzamide iodide Traditional Name: 3,4,5-trimethoxy-N-[(2-methylisoquinolin-2-ium-1-yl)methyl]benzamide iodide Formula: C21H23IN2O4 MolecularWeight: 494.32279

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2C=C1)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC=CC=C2C=C1)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[I-]

InChI

InChI=1S/C21H22N2O4.HI/c1-23-10-9-14-7-5-6-8-16(14)17(23)13-22-21(24)15-11-18(25-2)20(27-4)19(12-15)26-3;/h5-12H,13H2,1-4H3;1H